N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

C29H36N4O5 — CID 17118818

IUPACN-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C29H36N4O5/c1-2-38-18-8-15-30-28(36)24-11-6-7-12-25(24)31-27(35)21-13-16-32(17-14-21)29(37)22-19-26(34)33(20-22)23-9-4-3-5-10-23/h3-7,9-12,21-22H,2,8,13-20H2,1H3,(H,30,36)(H,31,35)
InChIKeyZPKZUJFEOVBWHO-UHFFFAOYSA-N
MW520.63 g/mol
LogP3.07
Rot. Bonds10

About N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 17118818) has the molecular formula C29H36N4O5 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID17118818
Molecular FormulaC29H36N4O5
Molecular Weight520.63 g/mol
Exact Mass520.27
IUPAC NameN-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C29H36N4O5/c1-2-38-18-8-15-30-28(36)24-11-6-7-12-25(24)31-27(35)21-13-16-32(17-14-21)29(37)22-19-26(34)33(20-22)23-9-4-3-5-10-23/h3-7,9-12,21-22H,2,8,13-20H2,1H3,(H,30,36)(H,31,35)
InChIKeyZPKZUJFEOVBWHO-UHFFFAOYSA-N
XLogP3.07
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497537
1-cyclohexyl-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17312324
N-(2-methoxyethyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118564
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118806
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822791
(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373718
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (CID 17118818) is N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is CCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZPKZUJFEOVBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O5/c1-2-38-18-8-15-30-28(36)24-11-6-7-12-25(24)31-27(35)21-13-16-32(17-14-21)29(37)22-19-26(34)33(20-22)23-9-4-3-5-10-23/h3-7,9-12,21-22H,2,8,13-20H2,1H3,(H,30,36)(H,31,35).
What are the key properties of N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17118818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).