N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide

C31H30N2O4 — CID 133238879

IUPACN-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O4/c1-36-27-19-17-25(18-20-27)22-33(29(34)23-37-28-15-9-4-10-16-28)30(26-13-7-3-8-14-26)31(35)32-21-24-11-5-2-6-12-24/h2-20,30H,21-23H2,1H3,(H,32,35)
InChIKeySKHYHPPEVNLQMY-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.16
Rot. Bonds11

About N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide

N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide (PubChem CID 133238879) has the molecular formula C31H30N2O4 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
PubChem CID133238879
Molecular FormulaC31H30N2O4
Molecular Weight494.59 g/mol
Exact Mass494.22
IUPAC NameN-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O4/c1-36-27-19-17-25(18-20-27)22-33(29(34)23-37-28-15-9-4-10-16-28)30(26-13-7-3-8-14-26)31(35)32-21-24-11-5-2-6-12-24/h2-20,30H,21-23H2,1H3,(H,32,35)
InChIKeySKHYHPPEVNLQMY-UHFFFAOYSA-N
XLogP5.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenylacetamide
CID 133238369
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133237228
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238365
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520
2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238379
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide (CID 133238879) is N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide is COc1ccc(CN(C(=O)COc2ccccc2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide?
The InChIKey is SKHYHPPEVNLQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4/c1-36-27-19-17-25(18-20-27)22-33(29(34)23-37-28-15-9-4-10-16-28)30(26-13-7-3-8-14-26)31(35)32-21-24-11-5-2-6-12-24/h2-20,30H,21-23H2,1H3,(H,32,35).
What are the key properties of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide?
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide has a molecular weight of 494.59 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133238879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).