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

C25H26ClN3O4 — CID 133213379

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H26ClN3O4/c1-18(25(31)28-15-20-6-5-13-27-14-20)29(16-19-9-11-21(32-2)12-10-19)24(30)17-33-23-8-4-3-7-22(23)26/h3-14,18H,15-17H2,1-2H3,(H,28,31)
InChIKeyDRFZLCYDGMSNHU-UHFFFAOYSA-N
MW467.95 g/mol
LogP3.86
Rot. Bonds10

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

2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 133213379) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID133213379
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H26ClN3O4/c1-18(25(31)28-15-20-6-5-13-27-14-20)29(16-19-9-11-21(32-2)12-10-19)24(30)17-33-23-8-4-3-7-22(23)26/h3-14,18H,15-17H2,1-2H3,(H,28,31)
InChIKeyDRFZLCYDGMSNHU-UHFFFAOYSA-N
XLogP3.86
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149255
(2R)-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523170
(2S)-2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645001
N-butyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710933
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132658928
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133238530
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 133149737
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149502
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide (CID 133213379) is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is DRFZLCYDGMSNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c1-18(25(31)28-15-20-6-5-13-27-14-20)29(16-19-9-11-21(32-2)12-10-19)24(30)17-33-23-8-4-3-7-22(23)26/h3-14,18H,15-17H2,1-2H3,(H,28,31).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 467.95 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 133213379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).