3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

C18H21NO — CID 94195982

IUPAC3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO/c1-12-5-8-16(9-6-12)15(4)19-18(20)17-10-7-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyYUTNFRSIGVQEQK-OAHLLOKOSA-N
MW267.37 g/mol
LogP4.10
Rot. Bonds3

About 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 94195982) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID94195982
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO/c1-12-5-8-16(9-6-12)15(4)19-18(20)17-10-7-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyYUTNFRSIGVQEQK-OAHLLOKOSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
CID 67105818
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (CID 94195982) is 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is YUTNFRSIGVQEQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-5-8-16(9-6-12)15(4)19-18(20)17-10-7-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 94195982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).