N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide

C14H20N2O — CID 79382669

IUPACN-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCNC2C)c1C
InChIInChI=1S/C14H20N2O/c1-9-5-4-6-13(10(9)2)16-14(17)12-7-8-15-11(12)3/h4-6,11-12,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyXMDXAZCYLDLSGU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.24
Rot. Bonds2

About N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide

N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79382669) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79382669
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCNC2C)c1C
InChIInChI=1S/C14H20N2O/c1-9-5-4-6-13(10(9)2)16-14(17)12-7-8-15-11(12)3/h4-6,11-12,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyXMDXAZCYLDLSGU-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79388584
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
trans-(1S,2S)-2-[(2,3-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6951012

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide (CID 79382669) is N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CCNC2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is XMDXAZCYLDLSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-5-4-6-13(10(9)2)16-14(17)12-7-8-15-11(12)3/h4-6,11-12,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79382669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).