N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide

C18H21NO — CID 28633869

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C18H21NO/c1-12-9-10-16(14(3)11-12)15(4)19-18(20)17-8-6-5-7-13(17)2/h5-11,15H,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyXRESNCFOAUIXSY-OAHLLOKOSA-N
MW267.37 g/mol
LogP4.10
Rot. Bonds3

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide (PubChem CID 28633869) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
PubChem CID28633869
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C18H21NO/c1-12-9-10-16(14(3)11-12)15(4)19-18(20)17-8-6-5-7-13(17)2/h5-11,15H,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyXRESNCFOAUIXSY-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

2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
CID 99132067
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide (CID 28633869) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide is Cc1ccc([C@@H](C)NC(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide?
The InChIKey is XRESNCFOAUIXSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-9-10-16(14(3)11-12)15(4)19-18(20)17-8-6-5-7-13(17)2/h5-11,15H,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide 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 N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 28633869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).