2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide

C31H37N3O5 — CID 133236731

IUPAC2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C31H37N3O5/c1-37-27-14-12-26(13-15-27)23-34(30(35)24-39-28-10-6-3-7-11-28)29(22-25-8-4-2-5-9-25)31(36)32-16-17-33-18-20-38-21-19-33/h2-15,29H,16-24H2,1H3,(H,32,36)
InChIKeyAREINGGXJGSFFY-UHFFFAOYSA-N
MW531.65 g/mol
LogP3.16
Rot. Bonds13

About 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (PubChem CID 133236731) has the molecular formula C31H37N3O5 and a molecular weight of 531.65 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
PubChem CID133236731
Molecular FormulaC31H37N3O5
Molecular Weight531.65 g/mol
Exact Mass531.27
IUPAC Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C31H37N3O5/c1-37-27-14-12-26(13-15-27)23-34(30(35)24-39-28-10-6-3-7-11-28)29(22-25-8-4-2-5-9-25)31(36)32-16-17-33-18-20-38-21-19-33/h2-15,29H,16-24H2,1H3,(H,32,36)
InChIKeyAREINGGXJGSFFY-UHFFFAOYSA-N
XLogP3.16
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.65
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide 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-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133236222
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133236728
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133214559
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132615977
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133236217
(2R)-2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 125046681
N-cyclohexyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176572
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100513841

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (CID 133236731) is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is COc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The InChIKey is AREINGGXJGSFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O5/c1-37-27-14-12-26(13-15-27)23-34(30(35)24-39-28-10-6-3-7-11-28)29(22-25-8-4-2-5-9-25)31(36)32-16-17-33-18-20-38-21-19-33/h2-15,29H,16-24H2,1H3,(H,32,36).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide has a molecular weight of 531.65 g/mol, XLogP of 3.16, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is sourced from PubChem (CID 133236731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).