2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide

C18H20N2O2 — CID 17398177

IUPAC2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-16-11-9-14(10-12-16)17-8-5-13-20(17)18(21)19-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21)
InChIKeyUEZOIQFSZBRHNR-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide

2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 17398177) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID17398177
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-16-11-9-14(10-12-16)17-8-5-13-20(17)18(21)19-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21)
InChIKeyUEZOIQFSZBRHNR-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide (CID 17398177) is 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is UEZOIQFSZBRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-11-9-14(10-12-16)17-8-5-13-20(17)18(21)19-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 17398177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).