3-methyl-4-oxoheptanamide

C8H15NO2 — CID 57153231

IUPAC3-methyl-4-oxoheptanamide
SMILESCCCC(=O)C(C)CC(N)=O
InChIInChI=1S/C8H15NO2/c1-3-4-7(10)6(2)5-8(9)11/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyQHEGNVCKVOOQMO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.87
Rot. Bonds5

About 3-methyl-4-oxoheptanamide

3-methyl-4-oxoheptanamide (PubChem CID 57153231) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-4-oxoheptanamide.

Molecular Properties

Compound Name3-methyl-4-oxoheptanamide
PubChem CID57153231
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-4-oxoheptanamide
SMILESCCCC(=O)C(C)CC(N)=O
InChIInChI=1S/C8H15NO2/c1-3-4-7(10)6(2)5-8(9)11/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyQHEGNVCKVOOQMO-UHFFFAOYSA-N
XLogP0.87
TPSA60.16 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-oxoheptanoic acid
CID 19914762
1-amino-2-methylhexan-3-one
CID 116564408
butanamide
CID 141414886
3-methyl-4-oxopentadecanoic acid
CID 58687449
diiminoazanium;3-methylheptan-4-one
CID 175383752
(3S)-3-amino-2-methylheptan-4-one
CID 88971560
3-methylbutanamide
CID 87933309
butanamide;dihydrobromide
CID 140988378
CID 158833027
CID 158833027
(3R)-2,3-dimethylheptan-4-one
CID 121285503
2,3-dimethylheptan-4-one
CID 19867142
5,8-dimethylnon-7-en-4-one
CID 118393642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoheptanamide?
The IUPAC name of 3-methyl-4-oxoheptanamide (CID 57153231) is 3-methyl-4-oxoheptanamide.
What is the SMILES notation for 3-methyl-4-oxoheptanamide?
The canonical SMILES for 3-methyl-4-oxoheptanamide is CCCC(=O)C(C)CC(N)=O.
What is the InChIKey of 3-methyl-4-oxoheptanamide?
The InChIKey is QHEGNVCKVOOQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-7(10)6(2)5-8(9)11/h6H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 3-methyl-4-oxoheptanamide?
3-methyl-4-oxoheptanamide has a molecular weight of 157.21 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoheptanamide is sourced from PubChem (CID 57153231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).