N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C21H24N2O3 — CID 113188305

IUPACN-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)26-19-7-5-4-6-18(19)23-13-16(12-20(23)24)21(25)22-17-10-8-15(3)9-11-17/h4-11,14,16H,12-13H2,1-3H3,(H,22,25)
InChIKeyUCERXVZFLUZEPD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.77
Rot. Bonds5

About N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113188305) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113188305
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)26-19-7-5-4-6-18(19)23-13-16(12-20(23)24)21(25)22-17-10-8-15(3)9-11-17/h4-11,14,16H,12-13H2,1-3H3,(H,22,25)
InChIKeyUCERXVZFLUZEPD-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188343
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-N-(4-bromo-3-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7831657
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113188305) is N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UCERXVZFLUZEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)26-19-7-5-4-6-18(19)23-13-16(12-20(23)24)21(25)22-17-10-8-15(3)9-11-17/h4-11,14,16H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).