2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide

C19H22N2O2 — CID 50747194

IUPAC2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-5-3-6-16(13-14)20-19(22)21-12-4-7-18(21)15-8-10-17(23-2)11-9-15/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)
InChIKeyZLTDOFMGYDLIBX-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide

2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747194) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID50747194
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-5-3-6-16(13-14)20-19(22)21-12-4-7-18(21)15-8-10-17(23-2)11-9-15/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)
InChIKeyZLTDOFMGYDLIBX-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.37
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-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 50747194) is 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is ZLTDOFMGYDLIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-3-6-16(13-14)20-19(22)21-12-4-7-18(21)15-8-10-17(23-2)11-9-15/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
2-(4-methoxyphenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.37, 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-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).