N-butyl-N-(3-oxopentyl)propanamide

C12H23NO2 — CID 59946218

IUPACN-butyl-N-(3-oxopentyl)propanamide
SMILESCCCCN(CCC(=O)CC)C(=O)CC
InChIInChI=1S/C12H23NO2/c1-4-7-9-13(12(15)6-3)10-8-11(14)5-2/h4-10H2,1-3H3
InChIKeyJXUAJUFZJGVGKC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds8

About N-butyl-N-(3-oxopentyl)propanamide

N-butyl-N-(3-oxopentyl)propanamide (PubChem CID 59946218) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butyl-N-(3-oxopentyl)propanamide.

Molecular Properties

Compound NameN-butyl-N-(3-oxopentyl)propanamide
PubChem CID59946218
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-butyl-N-(3-oxopentyl)propanamide
SMILESCCCCN(CCC(=O)CC)C(=O)CC
InChIInChI=1S/C12H23NO2/c1-4-7-9-13(12(15)6-3)10-8-11(14)5-2/h4-10H2,1-3H3
InChIKeyJXUAJUFZJGVGKC-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-oxopentyl)propanamide?
The IUPAC name of N-butyl-N-(3-oxopentyl)propanamide (CID 59946218) is N-butyl-N-(3-oxopentyl)propanamide.
What is the SMILES notation for N-butyl-N-(3-oxopentyl)propanamide?
The canonical SMILES for N-butyl-N-(3-oxopentyl)propanamide is CCCCN(CCC(=O)CC)C(=O)CC.
What is the InChIKey of N-butyl-N-(3-oxopentyl)propanamide?
The InChIKey is JXUAJUFZJGVGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-7-9-13(12(15)6-3)10-8-11(14)5-2/h4-10H2,1-3H3.
What are the key properties of N-butyl-N-(3-oxopentyl)propanamide?
N-butyl-N-(3-oxopentyl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-oxopentyl)propanamide is sourced from PubChem (CID 59946218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).