2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

C30H29N3O3 — CID 133238795

IUPAC2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2)C(C(=O)NCc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C30H29N3O3/c1-36-27-17-15-24(16-18-27)22-33(28(34)20-23-10-4-2-5-11-23)29(25-12-6-3-7-13-25)30(35)32-21-26-14-8-9-19-31-26/h2-19,29H,20-22H2,1H3,(H,32,35)
InChIKeyAKXZAVDHEWUNII-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.72
Rot. Bonds10

About 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 133238795) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID133238795
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2)C(C(=O)NCc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C30H29N3O3/c1-36-27-17-15-24(16-18-27)22-33(28(34)20-23-10-4-2-5-11-23)29(25-12-6-3-7-13-25)30(35)32-21-26-14-8-9-19-31-26/h2-19,29H,20-22H2,1H3,(H,32,35)
InChIKeyAKXZAVDHEWUNII-UHFFFAOYSA-N
XLogP4.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238311
2-[benzyl-(2-phenylacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133148969
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238852
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237149

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (CID 133238795) is 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(CN(C(=O)Cc2ccccc2)C(C(=O)NCc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AKXZAVDHEWUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-36-27-17-15-24(16-18-27)22-33(28(34)20-23-10-4-2-5-11-23)29(25-12-6-3-7-13-25)30(35)32-21-26-14-8-9-19-31-26/h2-19,29H,20-22H2,1H3,(H,32,35).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 479.58 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 133238795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).