2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide

C25H27N3O4 — CID 133213694

IUPAC2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(C)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H27N3O4/c1-19(25(30)27-16-21-7-6-14-26-15-21)28(17-20-10-12-22(31-2)13-11-20)24(29)18-32-23-8-4-3-5-9-23/h3-15,19H,16-18H2,1-2H3,(H,27,30)
InChIKeyKEISPASRNNJSIN-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.20
Rot. Bonds10

About 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 133213694) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID133213694
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(C)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H27N3O4/c1-19(25(30)27-16-21-7-6-14-26-15-21)28(17-20-10-12-22(31-2)13-11-20)24(29)18-32-23-8-4-3-5-9-23/h3-15,19H,16-18H2,1-2H3,(H,27,30)
InChIKeyKEISPASRNNJSIN-UHFFFAOYSA-N
XLogP3.20
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213379
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
2-[[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 133236284
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133213178
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149502
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133149558
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100529286

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 133213694) is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(CN(C(=O)COc2ccccc2)C(C)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is KEISPASRNNJSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-19(25(30)27-16-21-7-6-14-26-15-21)28(17-20-10-12-22(31-2)13-11-20)24(29)18-32-23-8-4-3-5-9-23/h3-15,19H,16-18H2,1-2H3,(H,27,30).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 133213694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).