4-(2-oxo-4-propylazepan-1-yl)butanamide

C13H24N2O2 — CID 90159149

IUPAC4-(2-oxo-4-propylazepan-1-yl)butanamide
SMILESCCCC1CCCN(CCCC(N)=O)C(=O)C1
InChIInChI=1S/C13H24N2O2/c1-2-5-11-6-3-8-15(13(17)10-11)9-4-7-12(14)16/h11H,2-10H2,1H3,(H2,14,16)
InChIKeyWPKWXYBJGPTUEU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.68
Rot. Bonds6

About 4-(2-oxo-4-propylazepan-1-yl)butanamide

4-(2-oxo-4-propylazepan-1-yl)butanamide (PubChem CID 90159149) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2-oxo-4-propylazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-4-propylazepan-1-yl)butanamide
PubChem CID90159149
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(2-oxo-4-propylazepan-1-yl)butanamide
SMILESCCCC1CCCN(CCCC(N)=O)C(=O)C1
InChIInChI=1S/C13H24N2O2/c1-2-5-11-6-3-8-15(13(17)10-11)9-4-7-12(14)16/h11H,2-10H2,1H3,(H2,14,16)
InChIKeyWPKWXYBJGPTUEU-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-4-propylazepan-1-yl)butanamide?
The IUPAC name of 4-(2-oxo-4-propylazepan-1-yl)butanamide (CID 90159149) is 4-(2-oxo-4-propylazepan-1-yl)butanamide.
What is the SMILES notation for 4-(2-oxo-4-propylazepan-1-yl)butanamide?
The canonical SMILES for 4-(2-oxo-4-propylazepan-1-yl)butanamide is CCCC1CCCN(CCCC(N)=O)C(=O)C1.
What is the InChIKey of 4-(2-oxo-4-propylazepan-1-yl)butanamide?
The InChIKey is WPKWXYBJGPTUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-5-11-6-3-8-15(13(17)10-11)9-4-7-12(14)16/h11H,2-10H2,1H3,(H2,14,16).
What are the key properties of 4-(2-oxo-4-propylazepan-1-yl)butanamide?
4-(2-oxo-4-propylazepan-1-yl)butanamide has a molecular weight of 240.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-4-propylazepan-1-yl)butanamide is sourced from PubChem (CID 90159149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).