N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide

C27H42N2O2 — CID 7418135

IUPACN-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
SMILESCC[C@@H](CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H42N2O2/c1-2-23(29-25(31)27-14-20-8-21(15-27)10-22(9-20)16-27)3-4-28-24(30)26-11-17-5-18(12-26)7-19(6-17)13-26/h17-23H,2-16H2,1H3,(H,28,30)(H,29,31)/t17?,18?,19?,20?,21?,22?,23-,26?,27?/m0/s1
InChIKeySUKFVSRXNOIQTN-CQTINVLISA-N
MW426.65 g/mol
LogP4.82
Rot. Bonds7

About N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide

N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide (PubChem CID 7418135) has the molecular formula C27H42N2O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
PubChem CID7418135
Molecular FormulaC27H42N2O2
Molecular Weight426.65 g/mol
Exact Mass426.32
IUPAC NameN-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
SMILESCC[C@@H](CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H42N2O2/c1-2-23(29-25(31)27-14-20-8-21(15-27)10-22(9-20)16-27)3-4-28-24(30)26-11-17-5-18(12-26)7-19(6-17)13-26/h17-23H,2-16H2,1H3,(H,28,30)(H,29,31)/t17?,18?,19?,20?,21?,22?,23-,26?,27?/m0/s1
InChIKeySUKFVSRXNOIQTN-CQTINVLISA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
N-(2-adamantyl)cyclohexanecarboxamide
CID 891290
N-{1-(1-adamantyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 2960871
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
12-(3-Adamantan-1-yl-ureido)-dodecanoic acid isopropylamide
CID 11487324
N-Adamantan-2-yl-2-[1-(isobutylcarbamoyl-methyl)-cyclopentyl]-acetamide
CID 24825785
3,3-Dimethyl-pentanedioic acid adamantan-2-ylamide cyclopropylamide
CID 24947610
N-Adamantan-2-yl-2-(1-cyclopropylcarbamoylmethyl-cyclohexyl)-acetamide
CID 24947984
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
Cambridge id 5561203
CID 2852753
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide?
The IUPAC name of N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide (CID 7418135) is N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide is CC[C@@H](CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide?
The InChIKey is SUKFVSRXNOIQTN-CQTINVLISA-N. The full InChI is InChI=1S/C27H42N2O2/c1-2-23(29-25(31)27-14-20-8-21(15-27)10-22(9-20)16-27)3-4-28-24(30)26-11-17-5-18(12-26)7-19(6-17)13-26/h17-23H,2-16H2,1H3,(H,28,30)(H,29,31)/t17?,18?,19?,20?,21?,22?,23-,26?,27?/m0/s1.
What are the key properties of N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide?
N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide has a molecular weight of 426.65 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide is sourced from PubChem (CID 7418135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).