N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide

C17H26N2O2 — CID 11659300

IUPACN-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c20-15-14(3-1-2-4-18-15)19-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,18,20)(H,19,21)/t11?,12?,13?,14-,17?/m0/s1
InChIKeyFRJOFURBYVCNEN-ZZTKBFGJSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds2

About N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide

N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide (PubChem CID 11659300) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
PubChem CID11659300
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c20-15-14(3-1-2-4-18-15)19-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,18,20)(H,19,21)/t11?,12?,13?,14-,17?/m0/s1
InChIKeyFRJOFURBYVCNEN-ZZTKBFGJSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
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
N-[(3R)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 44157844
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 11551248
1-[2-(Adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
CID 4782419
2-[2-(1-adamantylcarbonyl)hydrazino]-N-isopropyl-2-oxoacetamide
CID 2869210
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
(2S)-1-(adamantane-1-carbonyl)-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 10834106
N-[(3S)-2-oxoazepan-3-yl]-4-pentylbicyclo[2.2.2]octane-1-carboxamide
CID 11609693

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide (CID 11659300) is N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide is O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide?
The InChIKey is FRJOFURBYVCNEN-ZZTKBFGJSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-15-14(3-1-2-4-18-15)19-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,18,20)(H,19,21)/t11?,12?,13?,14-,17?/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 11659300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).