N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C20H24N2O2 — CID 50747131

IUPACN-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H24N2O2/c1-14-6-7-15(2)18(13-14)21-20(23)22-12-4-5-19(22)16-8-10-17(24-3)11-9-16/h6-11,13,19H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyGMUBJRQTHYVIEA-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.68
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747131) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID50747131
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H24N2O2/c1-14-6-7-15(2)18(13-14)21-20(23)22-12-4-5-19(22)16-8-10-17(24-3)11-9-16/h6-11,13,19H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyGMUBJRQTHYVIEA-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 50747131) is N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is GMUBJRQTHYVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-6-7-15(2)18(13-14)21-20(23)22-12-4-5-19(22)16-8-10-17(24-3)11-9-16/h6-11,13,19H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).