1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide

C18H18N2O3 — CID 2908928

IUPAC1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)CCC2(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-7-14(8-10-15)20-16(21)11-12-18(20,17(19)22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,22)
InChIKeyRKHVUTXNFFOMQE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide

1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide (PubChem CID 2908928) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide
PubChem CID2908928
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)CCC2(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-7-14(8-10-15)20-16(21)11-12-18(20,17(19)22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,22)
InChIKeyRKHVUTXNFFOMQE-UHFFFAOYSA-N
XLogP2.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide (CID 2908928) is 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide is COc1ccc(N2C(=O)CCC2(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide?
The InChIKey is RKHVUTXNFFOMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-15-9-7-14(8-10-15)20-16(21)11-12-18(20,17(19)22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,22).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide?
1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2908928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).