2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide

C22H29NO — CID 142901467

IUPAC2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide
SMILESCc1ccc(CC(c2cccc(C)c2)C(C)NC(=O)C(C)C)cc1
InChIInChI=1S/C22H29NO/c1-15(2)22(24)23-18(5)21(20-8-6-7-17(4)13-20)14-19-11-9-16(3)10-12-19/h6-13,15,18,21H,14H2,1-5H3,(H,23,24)
InChIKeyWWEASVKFSILHBN-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.79
Rot. Bonds6

About 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide

2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide (PubChem CID 142901467) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide
PubChem CID142901467
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide
SMILESCc1ccc(CC(c2cccc(C)c2)C(C)NC(=O)C(C)C)cc1
InChIInChI=1S/C22H29NO/c1-15(2)22(24)23-18(5)21(20-8-6-7-17(4)13-20)14-19-11-9-16(3)10-12-19/h6-13,15,18,21H,14H2,1-5H3,(H,23,24)
InChIKeyWWEASVKFSILHBN-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]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

N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
CID 20635114
N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 142807512
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
sodium 2-(3-methylphenyl)propanoate
CID 23706698
N-[4-(2-hydroxyethyl)phenyl]-2-(3-methylphenyl)propanamide
CID 111442382
2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 91579744
2-amino-2-(3-methylphenyl)-N-propan-2-ylacetamide
CID 83532850
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide (CID 142901467) is 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide is Cc1ccc(CC(c2cccc(C)c2)C(C)NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide?
The InChIKey is WWEASVKFSILHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-15(2)22(24)23-18(5)21(20-8-6-7-17(4)13-20)14-19-11-9-16(3)10-12-19/h6-13,15,18,21H,14H2,1-5H3,(H,23,24).
What are the key properties of 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide?
2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide has a molecular weight of 323.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide is sourced from PubChem (CID 142901467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).