N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C24H29N3O2 — CID 113189843

IUPACN-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)c1cccc(C)c1
InChIInChI=1S/C24H29N3O2/c1-3-26(22-8-6-7-18(2)15-22)24(29)19-16-23(28)27(17-19)21-11-9-20(10-12-21)25-13-4-5-14-25/h6-12,15,19H,3-5,13-14,16-17H2,1-2H3
InChIKeyPQYOPIGKCOSXCD-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.00
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113189843) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113189843
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)c1cccc(C)c1
InChIInChI=1S/C24H29N3O2/c1-3-26(22-8-6-7-18(2)15-22)24(29)19-16-23(28)27(17-19)21-11-9-20(10-12-21)25-13-4-5-14-25/h6-12,15,19H,3-5,13-14,16-17H2,1-2H3
InChIKeyPQYOPIGKCOSXCD-UHFFFAOYSA-N
XLogP4.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189808
ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113191696
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
N-ethyl-1-[(2-methoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183889
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
(3R)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 124881183
(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 124881184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 113189843) is N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is CCN(C(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PQYOPIGKCOSXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26(22-8-6-7-18(2)15-22)24(29)19-16-23(28)27(17-19)21-11-9-20(10-12-21)25-13-4-5-14-25/h6-12,15,19H,3-5,13-14,16-17H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113189843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).