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

C19H22N2O — CID 51856238

IUPAC(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-14-8-10-17(11-9-14)20-19(22)21-12-4-7-18(21)16-6-3-5-15(2)13-16/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyLJXJXXFBPRVYOG-SFHVURJKSA-N
MW294.40 g/mol
LogP4.67
Rot. Bonds2

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

(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51856238) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51856238
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-14-8-10-17(11-9-14)20-19(22)21-12-4-7-18(21)16-6-3-5-15(2)13-16/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyLJXJXXFBPRVYOG-SFHVURJKSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(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
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 9398885
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
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
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 51856238) is (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1.
What is the InChIKey of (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is LJXJXXFBPRVYOG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-8-10-17(11-9-14)20-19(22)21-12-4-7-18(21)16-6-3-5-15(2)13-16/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).