(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide

C19H22N2O — CID 59628597

IUPAC(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1N(C(=O)[C@@H]1CCCN1)c1ccccc1C
InChIInChI=1S/C19H22N2O/c1-14-8-3-5-11-17(14)21(18-12-6-4-9-15(18)2)19(22)16-10-7-13-20-16/h3-6,8-9,11-12,16,20H,7,10,13H2,1-2H3/t16-/m0/s1
InChIKeySFLBXYRPKHRHCF-INIZCTEOSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds3

About (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide

(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 59628597) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID59628597
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1N(C(=O)[C@@H]1CCCN1)c1ccccc1C
InChIInChI=1S/C19H22N2O/c1-14-8-3-5-11-17(14)21(18-12-6-4-9-15(18)2)19(22)16-10-7-13-20-16/h3-6,8-9,11-12,16,20H,7,10,13H2,1-2H3/t16-/m0/s1
InChIKeySFLBXYRPKHRHCF-INIZCTEOSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628577
(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone
CID 159877486
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 104914313
N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 115159253
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide (CID 59628597) is (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccccc1N(C(=O)[C@@H]1CCCN1)c1ccccc1C.
What is the InChIKey of (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is SFLBXYRPKHRHCF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-8-3-5-11-17(14)21(18-12-6-4-9-15(18)2)19(22)16-10-7-13-20-16/h3-6,8-9,11-12,16,20H,7,10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59628597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).