N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide

C13H24N2O2 — CID 112995931

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-3-8-12(16)14-11-13(17)15-9-6-4-5-7-10-15/h2-11H2,1H3,(H,14,16)
InChIKeyQUGSDDZHPZLTLU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide

N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide (PubChem CID 112995931) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
PubChem CID112995931
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-3-8-12(16)14-11-13(17)15-9-6-4-5-7-10-15/h2-11H2,1H3,(H,14,16)
InChIKeyQUGSDDZHPZLTLU-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 82109147
N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide
CID 123242180
6-amino-N-(2-oxo-2-piperidin-1-ylethyl)hexanamide
CID 112687717
7-amino-N-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 115597328
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide
CID 166550158
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide (CID 112995931) is N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide?
The InChIKey is QUGSDDZHPZLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-8-12(16)14-11-13(17)15-9-6-4-5-7-10-15/h2-11H2,1H3,(H,14,16).
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide?
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide is sourced from PubChem (CID 112995931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).