3-methyl-4-(2-methyl-3-oxobutyl)benzamide

C13H17NO2 — CID 23442295

IUPAC3-methyl-4-(2-methyl-3-oxobutyl)benzamide
SMILESCC(=O)C(C)Cc1ccc(C(N)=O)cc1C
InChIInChI=1S/C13H17NO2/c1-8(10(3)15)6-11-4-5-12(13(14)16)7-9(11)2/h4-5,7-8H,6H2,1-3H3,(H2,14,16)
InChIKeyYUHKNQZMHDSGKV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.86
Rot. Bonds4

About 3-methyl-4-(2-methyl-3-oxobutyl)benzamide

3-methyl-4-(2-methyl-3-oxobutyl)benzamide (PubChem CID 23442295) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-3-oxobutyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-3-oxobutyl)benzamide
PubChem CID23442295
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-methyl-4-(2-methyl-3-oxobutyl)benzamide
SMILESCC(=O)C(C)Cc1ccc(C(N)=O)cc1C
InChIInChI=1S/C13H17NO2/c1-8(10(3)15)6-11-4-5-12(13(14)16)7-9(11)2/h4-5,7-8H,6H2,1-3H3,(H2,14,16)
InChIKeyYUHKNQZMHDSGKV-UHFFFAOYSA-N
XLogP1.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(2-methyl-3-oxobutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
4-(2-aminopropylsulfanylmethyl)-3-methylbenzamide
CID 114483896
4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329
(4-carbamoyl-2-methylphenyl)methanesulfinate
CID 70670718
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-2-methylpropanoate
CID 174501519
CID 162253239
CID 162253239
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
4-[(2R)-2,3-dimethylbutyl]-3-methylbenzoic acid
CID 163975260

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-3-oxobutyl)benzamide?
The IUPAC name of 3-methyl-4-(2-methyl-3-oxobutyl)benzamide (CID 23442295) is 3-methyl-4-(2-methyl-3-oxobutyl)benzamide.
What is the SMILES notation for 3-methyl-4-(2-methyl-3-oxobutyl)benzamide?
The canonical SMILES for 3-methyl-4-(2-methyl-3-oxobutyl)benzamide is CC(=O)C(C)Cc1ccc(C(N)=O)cc1C.
What is the InChIKey of 3-methyl-4-(2-methyl-3-oxobutyl)benzamide?
The InChIKey is YUHKNQZMHDSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(10(3)15)6-11-4-5-12(13(14)16)7-9(11)2/h4-5,7-8H,6H2,1-3H3,(H2,14,16).
What are the key properties of 3-methyl-4-(2-methyl-3-oxobutyl)benzamide?
3-methyl-4-(2-methyl-3-oxobutyl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-3-oxobutyl)benzamide is sourced from PubChem (CID 23442295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).