2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide

C31H30N2O3 — CID 46056741

IUPAC2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C31H30N2O3/c1-24(27-15-7-3-8-16-27)32-30(34)21-26-14-11-17-28(20-26)33(22-25-12-5-2-6-13-25)31(35)23-36-29-18-9-4-10-19-29/h2-20,24H,21-23H2,1H3,(H,32,34)
InChIKeyJMXSHLJPKPPGBY-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.72
Rot. Bonds10

About 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide

2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide (PubChem CID 46056741) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
PubChem CID46056741
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C31H30N2O3/c1-24(27-15-7-3-8-16-27)32-30(34)21-26-14-11-17-28(20-26)33(22-25-12-5-2-6-13-25)31(35)23-36-29-18-9-4-10-19-29/h2-20,24H,21-23H2,1H3,(H,32,34)
InChIKeyJMXSHLJPKPPGBY-UHFFFAOYSA-N
XLogP5.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 46046116
2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7694493

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide (CID 46056741) is 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
The InChIKey is JMXSHLJPKPPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-24(27-15-7-3-8-16-27)32-30(34)21-26-14-11-17-28(20-26)33(22-25-12-5-2-6-13-25)31(35)23-36-29-18-9-4-10-19-29/h2-20,24H,21-23H2,1H3,(H,32,34).
What are the key properties of 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide has a molecular weight of 478.59 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).