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

C19H22N2O — CID 51855883

IUPAC(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1
InChIInChI=1S/C19H22N2O/c1-14-9-11-16(12-10-14)20-19(22)21-13-5-8-18(21)17-7-4-3-6-15(17)2/h3-4,6-7,9-12,18H,5,8,13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyCDQHIYDSMSSAFR-SFHVURJKSA-N
MW294.40 g/mol
LogP4.67
Rot. Bonds2

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

(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51855883) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51855883
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1
InChIInChI=1S/C19H22N2O/c1-14-9-11-16(12-10-14)20-19(22)21-13-5-8-18(21)17-7-4-3-6-15(17)2/h3-4,6-7,9-12,18H,5,8,13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyCDQHIYDSMSSAFR-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

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 94080933
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51963079
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 51855883) is (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1.
What is the InChIKey of (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CDQHIYDSMSSAFR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-9-11-16(12-10-14)20-19(22)21-13-5-8-18(21)17-7-4-3-6-15(17)2/h3-4,6-7,9-12,18H,5,8,13H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-(2-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-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51855883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).