N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C21H23N3O3 — CID 108803681

IUPACN-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C21H23N3O3/c25-19-6-2-1-5-18(19)22-21(27)15-13-20(26)24(14-15)17-9-7-16(8-10-17)23-11-3-4-12-23/h1-2,5-10,15,25H,3-4,11-14H2,(H,22,27)
InChIKeyQVMIIXCJTMAXNV-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.98
Rot. Bonds4

About N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 108803681) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID108803681
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C21H23N3O3/c25-19-6-2-1-5-18(19)22-21(27)15-13-20(26)24(14-15)17-9-7-16(8-10-17)23-11-3-4-12-23/h1-2,5-10,15,25H,3-4,11-14H2,(H,22,27)
InChIKeyQVMIIXCJTMAXNV-UHFFFAOYSA-N
XLogP2.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
5-oxo-N-(2-phenylsulfanylphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791087
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 112789393
N-(3-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791012
N-(2,5-dichlorophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791026
N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189954
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 108803681) is N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QVMIIXCJTMAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-6-2-1-5-18(19)22-21(27)15-13-20(26)24(14-15)17-9-7-16(8-10-17)23-11-3-4-12-23/h1-2,5-10,15,25H,3-4,11-14H2,(H,22,27).
What are the key properties of N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108803681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).