N-acetyl-4-methyl-3-oxopentanamide

C8H13NO3 — CID 12820668

IUPACN-acetyl-4-methyl-3-oxopentanamide
SMILESCC(=O)NC(=O)CC(=O)C(C)C
InChIInChI=1S/C8H13NO3/c1-5(2)7(11)4-8(12)9-6(3)10/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyYXXBSVRACOGNTG-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.26
Rot. Bonds3

About N-acetyl-4-methyl-3-oxopentanamide

N-acetyl-4-methyl-3-oxopentanamide (PubChem CID 12820668) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-acetyl-4-methyl-3-oxopentanamide.

Molecular Properties

Compound NameN-acetyl-4-methyl-3-oxopentanamide
PubChem CID12820668
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-acetyl-4-methyl-3-oxopentanamide
SMILESCC(=O)NC(=O)CC(=O)C(C)C
InChIInChI=1S/C8H13NO3/c1-5(2)7(11)4-8(12)9-6(3)10/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyYXXBSVRACOGNTG-UHFFFAOYSA-N
XLogP0.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
2,6-dimethylheptane-3,5-dione;pentane-2,4-dione
CID 159905404
copper 5-methylhexane-2,4-dione
CID 54598918
N-acetyl-2-chloroacetamide
CID 2366697
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide
CID 87708395
2,6-dimethylheptane-3,5-dione;methyl 3-oxobutanoate
CID 174845734
4-acetamido-2-hydroxy-4-oxobutanoic acid
CID 87576965
5-chloro-2-methylhex-5-en-3-one
CID 13108203
gold(3+);tris(5-methyl-2,4-dioxohexanoate)
CID 159385576
N-acetyl-3,3-dimethylbutanamide
CID 59565837
N-acetyl-2-methylbutanamide
CID 59565834

Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-methyl-3-oxopentanamide?
The IUPAC name of N-acetyl-4-methyl-3-oxopentanamide (CID 12820668) is N-acetyl-4-methyl-3-oxopentanamide.
What is the SMILES notation for N-acetyl-4-methyl-3-oxopentanamide?
The canonical SMILES for N-acetyl-4-methyl-3-oxopentanamide is CC(=O)NC(=O)CC(=O)C(C)C.
What is the InChIKey of N-acetyl-4-methyl-3-oxopentanamide?
The InChIKey is YXXBSVRACOGNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)7(11)4-8(12)9-6(3)10/h5H,4H2,1-3H3,(H,9,10,12).
What are the key properties of N-acetyl-4-methyl-3-oxopentanamide?
N-acetyl-4-methyl-3-oxopentanamide has a molecular weight of 171.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-methyl-3-oxopentanamide is sourced from PubChem (CID 12820668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).