2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide

C13H24N2O2 — CID 11218678

IUPAC2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
SMILESCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C13H24N2O2/c1-4-8-13(2,3)12(17)15-10-7-5-6-9-14-11(10)16/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyBSKBSIQSUHKBFE-JTQLQIEISA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds4

About 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide

2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide (PubChem CID 11218678) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
PubChem CID11218678
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
SMILESCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C13H24N2O2/c1-4-8-13(2,3)12(17)15-10-7-5-6-9-14-11(10)16/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyBSKBSIQSUHKBFE-JTQLQIEISA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide?
The IUPAC name of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide (CID 11218678) is 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide is CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide?
The InChIKey is BSKBSIQSUHKBFE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-8-13(2,3)12(17)15-10-7-5-6-9-14-11(10)16/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide?
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide is sourced from PubChem (CID 11218678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).