2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide

C24H29N3O4 — CID 23297608

IUPAC2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)CCc2ccc(OCc3ccccc3)cc2)C1=O
InChIInChI=1S/C24H29N3O4/c25-23(29)21-13-16-27(24(21)30)15-4-14-26-22(28)12-9-18-7-10-20(11-8-18)31-17-19-5-2-1-3-6-19/h1-3,5-8,10-11,21H,4,9,12-17H2,(H2,25,29)(H,26,28)
InChIKeyNVWANOZFQYGCIH-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.04
Rot. Bonds11

About 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide

2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide (PubChem CID 23297608) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide
PubChem CID23297608
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)CCc2ccc(OCc3ccccc3)cc2)C1=O
InChIInChI=1S/C24H29N3O4/c25-23(29)21-13-16-27(24(21)30)15-4-14-26-22(28)12-9-18-7-10-20(11-8-18)31-17-19-5-2-1-3-6-19/h1-3,5-8,10-11,21H,4,9,12-17H2,(H2,25,29)(H,26,28)
InChIKeyNVWANOZFQYGCIH-UHFFFAOYSA-N
XLogP2.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
CID 110612295
3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 155465315
2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
CID 173252108
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 55847244
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide (CID 23297608) is 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(CCCNC(=O)CCc2ccc(OCc3ccccc3)cc2)C1=O.
What is the InChIKey of 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide?
The InChIKey is NVWANOZFQYGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c25-23(29)21-13-16-27(24(21)30)15-4-14-26-22(28)12-9-18-7-10-20(11-8-18)31-17-19-5-2-1-3-6-19/h1-3,5-8,10-11,21H,4,9,12-17H2,(H2,25,29)(H,26,28).
What are the key properties of 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide?
2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 23297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).