ethane;2-methyl-N-(3-methylphenyl)propanamide

C13H21NO — CID 163229096

IUPACethane;2-methyl-N-(3-methylphenyl)propanamide
SMILESCC.Cc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C11H15NO.C2H6/c1-8(2)11(13)12-10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3,(H,12,13);1-2H3
InChIKeyIEIYQVAUIICNFD-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.62
Rot. Bonds2

About ethane;2-methyl-N-(3-methylphenyl)propanamide

ethane;2-methyl-N-(3-methylphenyl)propanamide (PubChem CID 163229096) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;2-methyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-(3-methylphenyl)propanamide
PubChem CID163229096
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;2-methyl-N-(3-methylphenyl)propanamide
SMILESCC.Cc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C11H15NO.C2H6/c1-8(2)11(13)12-10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3,(H,12,13);1-2H3
InChIKeyIEIYQVAUIICNFD-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-N-(3-methylphenyl)propanamide 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

(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
N-(3-methylphenyl)acetamide
CID 10843
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(3-methylphenyl)propanamide?
The IUPAC name of ethane;2-methyl-N-(3-methylphenyl)propanamide (CID 163229096) is ethane;2-methyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for ethane;2-methyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for ethane;2-methyl-N-(3-methylphenyl)propanamide is CC.Cc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of ethane;2-methyl-N-(3-methylphenyl)propanamide?
The InChIKey is IEIYQVAUIICNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-8(2)11(13)12-10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-methyl-N-(3-methylphenyl)propanamide?
ethane;2-methyl-N-(3-methylphenyl)propanamide has a molecular weight of 207.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 163229096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).