2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide

C18H21NO — CID 31178331

IUPAC2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1
InChIInChI=1S/C18H21NO/c1-12-9-10-14(3)17(11-12)18(20)19-15(4)16-8-6-5-7-13(16)2/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyAWZIUYJKTAJUJX-HNNXBMFYSA-N
MW267.37 g/mol
LogP4.10
Rot. Bonds3

About 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide

2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide (PubChem CID 31178331) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
PubChem CID31178331
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1
InChIInChI=1S/C18H21NO/c1-12-9-10-14(3)17(11-12)18(20)19-15(4)16-8-6-5-7-13(16)2/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyAWZIUYJKTAJUJX-HNNXBMFYSA-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

N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide (CID 31178331) is 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide is Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is AWZIUYJKTAJUJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-9-10-14(3)17(11-12)18(20)19-15(4)16-8-6-5-7-13(16)2/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
2,5-dimethyl-N-[(1S)-1-(2-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 2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 31178331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).