N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C22H23N3O4 — CID 17153816

IUPACN-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C22H23N3O4/c26-20-14-17(15-25(20)19-4-2-1-3-5-19)21(27)23-18-8-6-16(7-9-18)22(28)24-10-12-29-13-11-24/h1-9,17H,10-15H2,(H,23,27)
InChIKeyYSGBXBAHMBNBLF-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.15
Rot. Bonds4

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

N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153816) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153816
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C22H23N3O4/c26-20-14-17(15-25(20)19-4-2-1-3-5-19)21(27)23-18-8-6-16(7-9-18)22(28)24-10-12-29-13-11-24/h1-9,17H,10-15H2,(H,23,27)
InChIKeyYSGBXBAHMBNBLF-UHFFFAOYSA-N
XLogP2.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 94830866
N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153825
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
1-(4-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108800138
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153815
N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118806
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153816) is N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YSGBXBAHMBNBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20-14-17(15-25(20)19-4-2-1-3-5-19)21(27)23-18-8-6-16(7-9-18)22(28)24-10-12-29-13-11-24/h1-9,17H,10-15H2,(H,23,27).
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).