3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide

C25H27NO — CID 133186877

IUPAC3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc(C(NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-18-9-14-23(15-10-18)25(22-7-5-4-6-8-22)26-24(27)16-13-21-12-11-19(2)20(3)17-21/h4-12,14-15,17,25H,13,16H2,1-3H3,(H,26,27)
InChIKeyXOUBKYUATSGMPW-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.45
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide

3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 133186877) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID133186877
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc(C(NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-18-9-14-23(15-10-18)25(22-7-5-4-6-8-22)26-24(27)16-13-21-12-11-19(2)20(3)17-21/h4-12,14-15,17,25H,13,16H2,1-3H3,(H,26,27)
InChIKeyXOUBKYUATSGMPW-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
CID 43011406
3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55609022
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
CID 60546055
3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide (CID 133186877) is 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc(C(NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is XOUBKYUATSGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-18-9-14-23(15-10-18)25(22-7-5-4-6-8-22)26-24(27)16-13-21-12-11-19(2)20(3)17-21/h4-12,14-15,17,25H,13,16H2,1-3H3,(H,26,27).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 357.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 133186877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).