benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate

C25H25NO3 — CID 55378852

IUPACbenzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OC(c1ccccc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C25H25NO3/c1-18-13-15-20(16-14-18)23(26-19(2)27)17-24(28)29-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,25H,17H2,1-2H3,(H,26,27)
InChIKeyGBLYSXZYKKJJFR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.90
Rot. Bonds7

About benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate

benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate (PubChem CID 55378852) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namebenzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
PubChem CID55378852
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namebenzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OC(c1ccccc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C25H25NO3/c1-18-13-15-20(16-14-18)23(26-19(2)27)17-24(28)29-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,25H,17H2,1-2H3,(H,26,27)
InChIKeyGBLYSXZYKKJJFR-UHFFFAOYSA-N
XLogP4.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(2-bromo-4-methylphenyl) 3-acetamido-3-phenylpropanoate
CID 24671734
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934
prop-2-ynyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 78805084
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132735
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 5039727
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545

Frequently Asked Questions

What is the IUPAC name of benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate?
The IUPAC name of benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate (CID 55378852) is benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate.
What is the SMILES notation for benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate?
The canonical SMILES for benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate is CC(=O)NC(CC(=O)OC(c1ccccc1)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate?
The InChIKey is GBLYSXZYKKJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18-13-15-20(16-14-18)23(26-19(2)27)17-24(28)29-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,25H,17H2,1-2H3,(H,26,27).
What are the key properties of benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate?
benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate has a molecular weight of 387.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55378852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).