5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide

C24H29N3O2 — CID 110633794

IUPAC5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCCN2CCCC2)cc1)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23-15-14-22(27(23)21-8-2-1-3-9-21)24(29)25-20-12-10-19(11-13-20)7-6-18-26-16-4-5-17-26/h1-3,8-13,22H,4-7,14-18H2,(H,25,29)
InChIKeySEQSCAYELUPTBG-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.85
Rot. Bonds7

About 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide

5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 110633794) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID110633794
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCCN2CCCC2)cc1)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23-15-14-22(27(23)21-8-2-1-3-9-21)24(29)25-20-12-10-19(11-13-20)7-6-18-26-16-4-5-17-26/h1-3,8-13,22H,4-7,14-18H2,(H,25,29)
InChIKeySEQSCAYELUPTBG-UHFFFAOYSA-N
XLogP3.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110427657
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide (CID 110633794) is 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(CCCN2CCCC2)cc1)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is SEQSCAYELUPTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23-15-14-22(27(23)21-8-2-1-3-9-21)24(29)25-20-12-10-19(11-13-20)7-6-18-26-16-4-5-17-26/h1-3,8-13,22H,4-7,14-18H2,(H,25,29).
What are the key properties of 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide?
5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110633794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).