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

C24H25NO2 — CID 28566302

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C24H25NO2/c1-17-13-14-21(18(2)15-17)19(3)25-24(26)22-11-7-8-12-23(22)27-16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyQNKVXYDIGKLSOT-LJQANCHMSA-N
MW359.47 g/mol
LogP5.37
Rot. Bonds6

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

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide (PubChem CID 28566302) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
PubChem CID28566302
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C24H25NO2/c1-17-13-14-21(18(2)15-17)19(3)25-24(26)22-11-7-8-12-23(22)27-16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyQNKVXYDIGKLSOT-LJQANCHMSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
CID 7930966
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
CID 99132067
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide
CID 39327415
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94015821

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide (CID 28566302) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide is Cc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide?
The InChIKey is QNKVXYDIGKLSOT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17-13-14-21(18(2)15-17)19(3)25-24(26)22-11-7-8-12-23(22)27-16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3,(H,25,26)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide has a molecular weight of 359.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 28566302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).