N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide

C13H22N2O2 — CID 110196450

IUPACN-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide
SMILESO=C1CCCCC(CNC(=O)C2CCCC2)N1
InChIInChI=1S/C13H22N2O2/c16-12-8-4-3-7-11(15-12)9-14-13(17)10-5-1-2-6-10/h10-11H,1-9H2,(H,14,17)(H,15,16)
InChIKeyQWXHZZPECUXHDV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.35
Rot. Bonds3

About N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide

N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide (PubChem CID 110196450) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide
PubChem CID110196450
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide
SMILESO=C1CCCCC(CNC(=O)C2CCCC2)N1
InChIInChI=1S/C13H22N2O2/c16-12-8-4-3-7-11(15-12)9-14-13(17)10-5-1-2-6-10/h10-11H,1-9H2,(H,14,17)(H,15,16)
InChIKeyQWXHZZPECUXHDV-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide (CID 110196450) is N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide is O=C1CCCCC(CNC(=O)C2CCCC2)N1.
What is the InChIKey of N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide?
The InChIKey is QWXHZZPECUXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12-8-4-3-7-11(15-12)9-14-13(17)10-5-1-2-6-10/h10-11H,1-9H2,(H,14,17)(H,15,16).
What are the key properties of N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide?
N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxoazepan-2-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 110196450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).