4-methyl-3-oxo-N-propan-2-ylpentanamide

C9H17NO2 — CID 59848448

IUPAC4-methyl-3-oxo-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CC(=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8(11)5-9(12)10-7(3)4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyGYDWMNFSCNXQEQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

About 4-methyl-3-oxo-N-propan-2-ylpentanamide

4-methyl-3-oxo-N-propan-2-ylpentanamide (PubChem CID 59848448) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-propan-2-ylpentanamide
PubChem CID59848448
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-methyl-3-oxo-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CC(=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8(11)5-9(12)10-7(3)4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyGYDWMNFSCNXQEQ-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-methyl-4,7-dioxo-N-propan-2-ylnonanamide
CID 157173964
N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
CID 178083708
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-acetyl-4-methyl-3-oxopentanamide
CID 12820668
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
N,N'-di(propan-2-yl)decanediamide
CID 58997511
sodium 2-oxo-2-(propan-2-ylamino)ethanolate
CID 122705182
copper 5-methylhexane-2,4-dione
CID 54598918
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
ethane;N-propan-2-ylbutanamide
CID 169175258
(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
CID 15427851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-propan-2-ylpentanamide?
The IUPAC name of 4-methyl-3-oxo-N-propan-2-ylpentanamide (CID 59848448) is 4-methyl-3-oxo-N-propan-2-ylpentanamide.
What is the SMILES notation for 4-methyl-3-oxo-N-propan-2-ylpentanamide?
The canonical SMILES for 4-methyl-3-oxo-N-propan-2-ylpentanamide is CC(C)NC(=O)CC(=O)C(C)C.
What is the InChIKey of 4-methyl-3-oxo-N-propan-2-ylpentanamide?
The InChIKey is GYDWMNFSCNXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8(11)5-9(12)10-7(3)4/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of 4-methyl-3-oxo-N-propan-2-ylpentanamide?
4-methyl-3-oxo-N-propan-2-ylpentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-propan-2-ylpentanamide is sourced from PubChem (CID 59848448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).