3-methyl-N-(5-methyl-2-oxohexyl)butanamide

C12H23NO2 — CID 58223927

IUPAC3-methyl-N-(5-methyl-2-oxohexyl)butanamide
SMILESCC(C)CCC(=O)CNC(=O)CC(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)5-6-11(14)8-13-12(15)7-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyQDBLVVMOXJZLMO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.15
Rot. Bonds7

About 3-methyl-N-(5-methyl-2-oxohexyl)butanamide

3-methyl-N-(5-methyl-2-oxohexyl)butanamide (PubChem CID 58223927) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-2-oxohexyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-2-oxohexyl)butanamide
PubChem CID58223927
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methyl-N-(5-methyl-2-oxohexyl)butanamide
SMILESCC(C)CCC(=O)CNC(=O)CC(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)5-6-11(14)8-13-12(15)7-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyQDBLVVMOXJZLMO-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Valrocemide
CID 6918293
2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
CID 59002736
Acetoacetamide, N-(1,4-dimethylpentyl)-
CID 51857
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
N-(2-ethylhexyl)-3-oxobutyramide
CID 118003
Ac-leu-nhme
CID 6950977
Valeramide, N-isobutyl-2-propyl-
CID 211202
3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-butyl)-amide
CID 15719282
(3R)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
CID 15719283
Glycylleucinamid
CID 6994313
AC-Leu-NH2
CID 140111

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-2-oxohexyl)butanamide?
The IUPAC name of 3-methyl-N-(5-methyl-2-oxohexyl)butanamide (CID 58223927) is 3-methyl-N-(5-methyl-2-oxohexyl)butanamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-2-oxohexyl)butanamide?
The canonical SMILES for 3-methyl-N-(5-methyl-2-oxohexyl)butanamide is CC(C)CCC(=O)CNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(5-methyl-2-oxohexyl)butanamide?
The InChIKey is QDBLVVMOXJZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)5-6-11(14)8-13-12(15)7-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 3-methyl-N-(5-methyl-2-oxohexyl)butanamide?
3-methyl-N-(5-methyl-2-oxohexyl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-2-oxohexyl)butanamide is sourced from PubChem (CID 58223927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).