(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide

C15H28N2O2 — CID 162983206

IUPAC(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide
SMILESCC[C@H](C)CCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H28N2O2/c1-3-12(2)8-4-5-10-14(18)17-13-9-6-7-11-16-15(13)19/h12-13H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKeyKHXOPNKILPCHOZ-STQMWFEESA-N
MW268.40 g/mol
LogP2.38
Rot. Bonds7

About (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide

(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide (PubChem CID 162983206) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide
PubChem CID162983206
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide
SMILESCC[C@H](C)CCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H28N2O2/c1-3-12(2)8-4-5-10-14(18)17-13-9-6-7-11-16-15(13)19/h12-13H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKeyKHXOPNKILPCHOZ-STQMWFEESA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Valrocemide
CID 6918293
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 11151928
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
CID 11218678
2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11254190
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cycloheptanecarboxamide
CID 155516492
N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
CID 11544064
Menthol lactam
CID 12349329
3,3-dimethyl-N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 11151929

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide?
The IUPAC name of (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide (CID 162983206) is (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide.
What is the SMILES notation for (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide?
The canonical SMILES for (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide is CC[C@H](C)CCCCC(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide?
The InChIKey is KHXOPNKILPCHOZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-12(2)8-4-5-10-14(18)17-13-9-6-7-11-16-15(13)19/h12-13H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide?
(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide has a molecular weight of 268.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide is sourced from PubChem (CID 162983206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).