2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide

C13H18N2O — CID 79382752

IUPAC2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C13H18N2O/c1-9-3-5-11(6-4-9)15-13(16)12-7-8-14-10(12)2/h3-6,10,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyFUXNZFJLDDVRJM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.93
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide

2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 79382752) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID79382752
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C13H18N2O/c1-9-3-5-11(6-4-9)15-13(16)12-7-8-14-10(12)2/h3-6,10,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyFUXNZFJLDDVRJM-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339958
2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide (CID 79382752) is 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CCNC2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FUXNZFJLDDVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-3-5-11(6-4-9)15-13(16)12-7-8-14-10(12)2/h3-6,10,12,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79382752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).