(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C15H21N3O2 — CID 95051495

IUPAC(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2C(=O)N(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-11-6-8-12(9-7-11)16-15(20)18-10-4-5-13(18)14(19)17(2)3/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyJEGAVXQWWHQFDX-ZDUSSCGKSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds2

About (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 95051495) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID95051495
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2C(=O)N(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-11-6-8-12(9-7-11)16-15(20)18-10-4-5-13(18)14(19)17(2)3/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyJEGAVXQWWHQFDX-ZDUSSCGKSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide 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

2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015936
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468668
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 142246680
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63113917
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
CID 78922047
2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 143048908
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 95051495) is (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)N(C)C)cc1.
What is the InChIKey of (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JEGAVXQWWHQFDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-8-12(9-7-11)16-15(20)18-10-4-5-13(18)14(19)17(2)3/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 95051495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).