N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide

C24H25NO3 — CID 99953141

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-3-27-21-15-13-20(14-16-21)18(2)25-24(26)22-11-7-8-12-23(22)28-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyBAZWMPVSKOFYAU-SFHVURJKSA-N
MW375.47 g/mol
LogP5.16
Rot. Bonds8

About N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide (PubChem CID 99953141) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
PubChem CID99953141
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-3-27-21-15-13-20(14-16-21)18(2)25-24(26)22-11-7-8-12-23(22)28-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyBAZWMPVSKOFYAU-SFHVURJKSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
CID 174458853
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 46521998
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
CID 70238242

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide (CID 99953141) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide is CCOc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide?
The InChIKey is BAZWMPVSKOFYAU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-27-21-15-13-20(14-16-21)18(2)25-24(26)22-11-7-8-12-23(22)28-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,25,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 99953141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).