N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C20H24N2O2 — CID 86987252

IUPACN-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCCC2c2cccc(OC)c2)c1
InChIInChI=1S/C20H24N2O2/c1-3-15-7-4-9-17(13-15)21-20(23)22-12-6-11-19(22)16-8-5-10-18(14-16)24-2/h4-5,7-10,13-14,19H,3,6,11-12H2,1-2H3,(H,21,23)
InChIKeyNREKQFCSKHSNCH-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.63
Rot. Bonds4

About N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 86987252) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID86987252
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCCC2c2cccc(OC)c2)c1
InChIInChI=1S/C20H24N2O2/c1-3-15-7-4-9-17(13-15)21-20(23)22-12-6-11-19(22)16-8-5-10-18(14-16)24-2/h4-5,7-10,13-14,19H,3,6,11-12H2,1-2H3,(H,21,23)
InChIKeyNREKQFCSKHSNCH-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894306
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 125172176
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 86987252) is N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is CCc1cccc(NC(=O)N2CCCC2c2cccc(OC)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is NREKQFCSKHSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-15-7-4-9-17(13-15)21-20(23)22-12-6-11-19(22)16-8-5-10-18(14-16)24-2/h4-5,7-10,13-14,19H,3,6,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86987252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).