N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 24686054

IUPACN-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-8-15(9-7-14)12-22-13-16(10-19(22)23)20(24)21-17-4-3-5-18(11-17)25-2/h3-9,11,16H,10,12-13H2,1-2H3,(H,21,24)
InChIKeyXHIVLVJMCRIZFR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds5

About N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24686054) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID24686054
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-8-15(9-7-14)12-22-13-16(10-19(22)23)20(24)21-17-4-3-5-18(11-17)25-2/h3-9,11,16H,10,12-13H2,1-2H3,(H,21,24)
InChIKeyXHIVLVJMCRIZFR-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 24686054) is N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XHIVLVJMCRIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-8-15(9-7-14)12-22-13-16(10-19(22)23)20(24)21-17-4-3-5-18(11-17)25-2/h3-9,11,16H,10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24686054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).