3-methyl-4-(4-methylpentan-2-ylamino)benzamide

C14H22N2O — CID 43706917

IUPAC3-methyl-4-(4-methylpentan-2-ylamino)benzamide
SMILESCc1cc(C(N)=O)ccc1NC(C)CC(C)C
InChIInChI=1S/C14H22N2O/c1-9(2)7-11(4)16-13-6-5-12(14(15)17)8-10(13)3/h5-6,8-9,11,16H,7H2,1-4H3,(H2,15,17)
InChIKeySWQAVUMGOUFDAX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds5

About 3-methyl-4-(4-methylpentan-2-ylamino)benzamide

3-methyl-4-(4-methylpentan-2-ylamino)benzamide (PubChem CID 43706917) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-4-(4-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-methyl-4-(4-methylpentan-2-ylamino)benzamide
PubChem CID43706917
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-4-(4-methylpentan-2-ylamino)benzamide
SMILESCc1cc(C(N)=O)ccc1NC(C)CC(C)C
InChIInChI=1S/C14H22N2O/c1-9(2)7-11(4)16-13-6-5-12(14(15)17)8-10(13)3/h5-6,8-9,11,16H,7H2,1-4H3,(H2,15,17)
InChIKeySWQAVUMGOUFDAX-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(4-methylpentan-2-ylamino)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

2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 43104153
4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
CID 43706737
5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206249
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
3-methyl-4-(pentan-2-ylamino)benzoic acid
CID 43736098
3-fluoro-4-(4-methylpentan-2-ylamino)benzoic acid
CID 55107408
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
methyl 4-(1-methoxypropan-2-ylamino)-3-methylbenzoate
CID 62535082
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
3-methyl-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylpentan-2-ylamino)benzamide?
The IUPAC name of 3-methyl-4-(4-methylpentan-2-ylamino)benzamide (CID 43706917) is 3-methyl-4-(4-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 3-methyl-4-(4-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 3-methyl-4-(4-methylpentan-2-ylamino)benzamide is Cc1cc(C(N)=O)ccc1NC(C)CC(C)C.
What is the InChIKey of 3-methyl-4-(4-methylpentan-2-ylamino)benzamide?
The InChIKey is SWQAVUMGOUFDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)7-11(4)16-13-6-5-12(14(15)17)8-10(13)3/h5-6,8-9,11,16H,7H2,1-4H3,(H2,15,17).
What are the key properties of 3-methyl-4-(4-methylpentan-2-ylamino)benzamide?
3-methyl-4-(4-methylpentan-2-ylamino)benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 43706917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).