3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide

C22H29NO — CID 133187263

IUPAC3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCc1ccc(CCC(=O)NC(CC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C22H29NO/c1-16(2)14-21(20-8-6-5-7-9-20)23-22(24)13-12-19-11-10-17(3)18(4)15-19/h5-11,15-16,21H,12-14H2,1-4H3,(H,23,24)
InChIKeyJOABVVSKHVWNKJ-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.14
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide

3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide (PubChem CID 133187263) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
PubChem CID133187263
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCc1ccc(CCC(=O)NC(CC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C22H29NO/c1-16(2)14-21(20-8-6-5-7-9-20)23-22(24)13-12-19-11-10-17(3)18(4)15-19/h5-11,15-16,21H,12-14H2,1-4H3,(H,23,24)
InChIKeyJOABVVSKHVWNKJ-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 133210929
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide (CID 133187263) is 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide is Cc1ccc(CCC(=O)NC(CC(C)C)c2ccccc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide?
The InChIKey is JOABVVSKHVWNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-16(2)14-21(20-8-6-5-7-9-20)23-22(24)13-12-19-11-10-17(3)18(4)15-19/h5-11,15-16,21H,12-14H2,1-4H3,(H,23,24).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide?
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide has a molecular weight of 323.48 g/mol, XLogP of 5.14, 7 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-(3-methyl-1-phenylbutyl)propanamide is sourced from PubChem (CID 133187263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).