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

C14H24N2O2 — CID 11651747

IUPAC1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-14(8-4-2-5-9-14)13(18)16-11-7-3-6-10-15-12(11)17/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyDCWQNCVQDSMMDI-NSHDSACASA-N
MW252.36 g/mol
LogP1.74
Rot. Bonds2

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

1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide (PubChem CID 11651747) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
PubChem CID11651747
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-14(8-4-2-5-9-14)13(18)16-11-7-3-6-10-15-12(11)17/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyDCWQNCVQDSMMDI-NSHDSACASA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide (CID 11651747) is 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide is CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1.
What is the InChIKey of 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is DCWQNCVQDSMMDI-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(8-4-2-5-9-14)13(18)16-11-7-3-6-10-15-12(11)17/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide?
1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11651747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).