3-methyl-N-(3-oxopropyl)butanamide

C8H15NO2 — CID 22960330

IUPAC3-methyl-N-(3-oxopropyl)butanamide
SMILESCC(C)CC(=O)NCCC=O
InChIInChI=1S/C8H15NO2/c1-7(2)6-8(11)9-4-3-5-10/h5,7H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyONUQLSPIIWGUKV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.74
Rot. Bonds5

About 3-methyl-N-(3-oxopropyl)butanamide

3-methyl-N-(3-oxopropyl)butanamide (PubChem CID 22960330) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-N-(3-oxopropyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-oxopropyl)butanamide
PubChem CID22960330
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-N-(3-oxopropyl)butanamide
SMILESCC(C)CC(=O)NCCC=O
InChIInChI=1S/C8H15NO2/c1-7(2)6-8(11)9-4-3-5-10/h5,7H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyONUQLSPIIWGUKV-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxopropyl)butanamide?
The IUPAC name of 3-methyl-N-(3-oxopropyl)butanamide (CID 22960330) is 3-methyl-N-(3-oxopropyl)butanamide.
What is the SMILES notation for 3-methyl-N-(3-oxopropyl)butanamide?
The canonical SMILES for 3-methyl-N-(3-oxopropyl)butanamide is CC(C)CC(=O)NCCC=O.
What is the InChIKey of 3-methyl-N-(3-oxopropyl)butanamide?
The InChIKey is ONUQLSPIIWGUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)6-8(11)9-4-3-5-10/h5,7H,3-4,6H2,1-2H3,(H,9,11).
What are the key properties of 3-methyl-N-(3-oxopropyl)butanamide?
3-methyl-N-(3-oxopropyl)butanamide has a molecular weight of 157.21 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxopropyl)butanamide is sourced from PubChem (CID 22960330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).