2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide

C17H19NO — CID 30386627

IUPAC2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-8-10-15(11-9-12)14(3)18-17(19)16-7-5-4-6-13(16)2/h4-11,14H,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyCSYAIZVCUFXNPX-AWEZNQCLSA-N
MW253.34 g/mol
LogP3.79
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide

2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 30386627) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID30386627
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-8-10-15(11-9-12)14(3)18-17(19)16-7-5-4-6-13(16)2/h4-11,14H,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyCSYAIZVCUFXNPX-AWEZNQCLSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide (CID 30386627) is 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is CSYAIZVCUFXNPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-8-10-15(11-9-12)14(3)18-17(19)16-7-5-4-6-13(16)2/h4-11,14H,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 253.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 30386627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).