2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide

C13H24N2O2 — CID 53385001

IUPAC2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide
SMILESCCCC(C)C(=O)NC1CCCCN(C)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-7-10(2)12(16)14-11-8-5-6-9-15(3)13(11)17/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyLWCLMRGRXWWADV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide

2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide (PubChem CID 53385001) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide
PubChem CID53385001
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide
SMILESCCCC(C)C(=O)NC1CCCCN(C)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-7-10(2)12(16)14-11-8-5-6-9-15(3)13(11)17/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyLWCLMRGRXWWADV-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide?
The IUPAC name of 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide (CID 53385001) is 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide is CCCC(C)C(=O)NC1CCCCN(C)C1=O.
What is the InChIKey of 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide?
The InChIKey is LWCLMRGRXWWADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-10(2)12(16)14-11-8-5-6-9-15(3)13(11)17/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide?
2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide is sourced from PubChem (CID 53385001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).