2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C15H22N2O — CID 79382496

IUPAC2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCNC2C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-9-7-10(2)14(11(3)8-9)17-15(18)13-5-6-16-12(13)4/h7-8,12-13,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyVHPMGEQNGISAJT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 79382496) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID79382496
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCNC2C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-9-7-10(2)14(11(3)8-9)17-15(18)13-5-6-16-12(13)4/h7-8,12-13,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyVHPMGEQNGISAJT-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 114915617
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79378143
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 79382496) is 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CCNC2C)c(C)c1.
What is the InChIKey of 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VHPMGEQNGISAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9-7-10(2)14(11(3)8-9)17-15(18)13-5-6-16-12(13)4/h7-8,12-13,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79382496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).