N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide

C19H22N2O — CID 5065354

IUPACN-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccccc3)C2)cc1C
InChIInChI=1S/C19H22N2O/c1-14-8-9-18(12-15(14)2)20-19(22)21-11-10-17(13-21)16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyZSPSSVQJUNQFLX-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.32
Rot. Bonds2

About N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide

N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide (PubChem CID 5065354) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
PubChem CID5065354
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccccc3)C2)cc1C
InChIInChI=1S/C19H22N2O/c1-14-8-9-18(12-15(14)2)20-19(22)21-11-10-17(13-21)16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyZSPSSVQJUNQFLX-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-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

3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
CID 46069404
4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
CID 90566899
N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 2925607
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide (CID 5065354) is N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3ccccc3)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is ZSPSSVQJUNQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-8-9-18(12-15(14)2)20-19(22)21-11-10-17(13-21)16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide?
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 5065354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).