Auda
PubChem CID: 10069117
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| Compound Synonyms | AUDA, 479413-70-2, 12-(3-(Adamantan-1-yl)ureido)dodecanoic acid, 12-(1-adamantylcarbamoylamino)dodecanoic Acid, 12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid, CHEMBL215387, MFCD12912267, 12-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]-dodecanoic acid, AUDA?, Urea-based compound, 18, MLS002415562, SCHEMBL120588, BDBM25737, DTXSID20435153, CHEBI:230291, HMS2204E15, HMS3332K06, HMS3650M09, HMS3743K13, AUDA, >=98% (HPLC), AKOS037649195, AC-32579, BS-17099, DA-61318, PD119523, SMR001339077, HY-108570, CS-0029182, NS00096512, S0752, 12-(3-adamantan-1-yl-ureido)-dodecanoic acid, D81052, SR-01000860315, SR-01000860315-2, 12-(3-((3s,5s,7s)-Adamantan-1-yl)ureido)dodecanoic acid, 12-{[(ADAMANTAN-1-YL)CARBAMOYL]AMINO}DODECANOIC ACID, 12-(3-Adamantan-1-yl-ureido)dodecanoic Acid, 12-[[(Tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]dodecanoic Acid, A 003564556, |
|---|---|
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-(1-adamantylcarbamoylamino)dodecanoic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT862, NPT570 |
| Xlogp | 5.9 |
| Molecular Formula | C23H40N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLGSEOAVLVTJDH-UHFFFAOYSA-N |
| Fcsp3 | 0.9130434782608696 |
| Logs | -4.224 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.569 |
| Compound Name | Auda |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.304 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.304 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 392.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.268620800000001 |
| Inchi | InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28) |
| Smiles | C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients