N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

C20H24N2O — CID 50747165

IUPACN-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCCC2c2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O/c1-14-6-4-7-17(11-14)19-8-5-9-22(19)20(23)21-18-12-15(2)10-16(3)13-18/h4,6-7,10-13,19H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyIOICHUGIBBAXNQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.98
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747165) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID50747165
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCCC2c2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O/c1-14-6-4-7-17(11-14)19-8-5-9-22(19)20(23)21-18-12-15(2)10-16(3)13-18/h4,6-7,10-13,19H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyIOICHUGIBBAXNQ-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096340
4-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 86951405
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 110900682

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 50747165) is N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCCC2c2cccc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is IOICHUGIBBAXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-6-4-7-17(11-14)19-8-5-9-22(19)20(23)21-18-12-15(2)10-16(3)13-18/h4,6-7,10-13,19H,5,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).