1,3-Dicyclohexylurea
PubChem CID: 4277
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| Compound Synonyms | 1,3-Dicyclohexylurea, n,n'-dicyclohexylurea, 2387-23-7, Dicyclohexylurea, Urea, N,N'-dicyclohexyl-, Urea, 1,3-dicyclohexyl-, MFCD00003829, ZV7823VVIM, EINECS 219-213-7, NSC 17013, NSC 30023, NSC-17013, NSC-30023, CHEMBL1458, DICYCLOHEXYLCARBODIAMIDE, DICYCLOHEXYLUREA, N,N'-, Urea,3-dicyclohexyl-, Urea,N'-dicyclohexyl-, LOMUSTINE IMPURITY C [EP IMPURITY], DCU compound, LOMUSTINE IMPURITY C (EP IMPURITY), C13H24N2O, UNII-ZV7823VVIM, dicylohexylurea, dicylcohexylurea, dicylohexyl urea, dicyclohexyl urea, dicyclohexyl-urea, N,N inverted exclamation marka-Dicyclohexylurea, DCW, 1,3dicyclohexylurea, n.n'-dicyclohexylurea, N,N,-Dicyclohexylurea, 1,3-dicyclohexyl-urea, Urea, 1,3dicyclohexyl, N,N'-dicyclohexyl urea, Urea, N,N'dicyclohexyl, N,N'-dicyclohexylisourea, 1,3-dicyclo hexyl urea, N.N' - dicyclohexylurea, Urea-based compound, 12, SCHEMBL2755, Oprea1_447813, SPECTRUM1505126, N,N'-Dicyclohexylurea, 98%, F0902-7614, DTXSID3062366, SCHEMBL14602374, Urea, 1,3dicyclohexyl (8CI), BDBM25731, CHEBI:93429, 1,3-Dicyclohexylurea (Standard), Urea, 1,3-dicyclohexyl-(8CI), HY-W013989R, NSC17013, NSC30023, HSCI1_000378, STK093362, US8815951, 1,3-dicyclohexylurea, AKOS000121544, AB10257, CCG-214823, CS-W014705, HY-W013989, NCGC00095983-01, AS-57476, SY049014, DB-046275, D0441, EU-0099846, NS00010594, EN300-15666, SR-01000596919, Q5274028, SR-01000596919-1, BRD-K81521265-001-01-0, BRD-K81521265-001-02-8, Z44585884, 219-213-7, DHU |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CC1CCCCC1)CC1CCCCC1 |
| Deep Smiles | O=CNCCCCCC6)))))))NCCCCCC6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organic carbonic acids and derivatives |
| Scaffold Graph Node Level | OC(NC1CCCCC1)NC1CCCCC1 |
| Classyfire Subclass | Ureas |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P34913, B2RXH2, P51450, P00352, P08684, Q13951, P07099, Q9D379, P0DTD1, n.a. |
| Iupac Name | 1,3-dicyclohexylurea |
| Prediction Hob | 1.0 |
| Class | Organic carbonic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Target Id | NPT862, NPT48, NPT94, NPT109, NPT4274 |
| Xlogp | 3.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Ureas |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H24N2O |
| Scaffold Graph Node Bond Level | O=C(NC1CCCCC1)NC1CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ADFXKUOMJKEIND-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9230769230769232 |
| Logs | -3.769 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.354 |
| Synonyms | DCU compound, N,N'-dicyclohexylurea, nn-dicyclohexylurea |
| Esol Class | Soluble |
| Functional Groups | CNC(=O)NC |
| Compound Name | 1,3-Dicyclohexylurea |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.189 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.1245575999999997 |
| Inchi | InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) |
| Smiles | C1CCC(CC1)NC(=O)NC2CCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Ureas |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all