2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide

C24H25N3O3 — CID 133149053

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C24H25N3O3/c1-19(24(29)26-16-21-11-8-14-25-15-21)27(17-20-9-4-2-5-10-20)23(28)18-30-22-12-6-3-7-13-22/h2-15,19H,16-18H2,1H3,(H,26,29)
InChIKeyRULNXEYMCWBWCG-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.19
Rot. Bonds9

About 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide

2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 133149053) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID133149053
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C24H25N3O3/c1-19(24(29)26-16-21-11-8-14-25-15-21)27(17-20-9-4-2-5-10-20)23(28)18-30-22-12-6-3-7-13-22/h2-15,19H,16-18H2,1H3,(H,26,29)
InChIKeyRULNXEYMCWBWCG-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213379
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
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
N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
CID 133149417
2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 132701864
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133213190

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 133149053) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is RULNXEYMCWBWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-19(24(29)26-16-21-11-8-14-25-15-21)27(17-20-9-4-2-5-10-20)23(28)18-30-22-12-6-3-7-13-22/h2-15,19H,16-18H2,1H3,(H,26,29).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 133149053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).