2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide

C31H30N2O3 — CID 46046116

IUPAC2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCCc1ccccc1
InChIInChI=1S/C31H30N2O3/c34-30(32-21-20-25-10-4-1-5-11-25)22-26-16-18-28(19-17-26)33(23-27-12-6-2-7-13-27)31(35)24-36-29-14-8-3-9-15-29/h1-19H,20-24H2,(H,32,34)
InChIKeyXZTVLUFCBGYKQQ-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.20
Rot. Bonds11

About 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide

2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide (PubChem CID 46046116) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
PubChem CID46046116
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCCc1ccccc1
InChIInChI=1S/C31H30N2O3/c34-30(32-21-20-25-10-4-1-5-11-25)22-26-16-18-28(19-17-26)33(23-27-12-6-2-7-13-27)31(35)24-36-29-14-8-3-9-15-29/h1-19H,20-24H2,(H,32,34)
InChIKeyXZTVLUFCBGYKQQ-UHFFFAOYSA-N
XLogP5.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 46046119
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide (CID 46046116) is 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide is O=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCCc1ccccc1.
What is the InChIKey of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
The InChIKey is XZTVLUFCBGYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c34-30(32-21-20-25-10-4-1-5-11-25)22-26-16-18-28(19-17-26)33(23-27-12-6-2-7-13-27)31(35)24-36-29-14-8-3-9-15-29/h1-19H,20-24H2,(H,32,34).
What are the key properties of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide?
2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide has a molecular weight of 478.59 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46046116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).