N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide

C15H22N2O — CID 113357371

IUPACN-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CNCC2C)cc1C
InChIInChI=1S/C15H22N2O/c1-4-12-5-6-13(7-10(12)2)17-15(18)14-9-16-8-11(14)3/h5-7,11,14,16H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyJROKLEQPUDBUCD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds3

About N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide

N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 113357371) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID113357371
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CNCC2C)cc1C
InChIInChI=1S/C15H22N2O/c1-4-12-5-6-13(7-10(12)2)17-15(18)14-9-16-8-11(14)3/h5-7,11,14,16H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyJROKLEQPUDBUCD-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63714278
N-(3-chloro-4-cyanophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63715589
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63716289
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
(E)-3-[3-[(4-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339670
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715447
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118
4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63715280
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide (CID 113357371) is N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide is CCc1ccc(NC(=O)C2CNCC2C)cc1C.
What is the InChIKey of N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is JROKLEQPUDBUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12-5-6-13(7-10(12)2)17-15(18)14-9-16-8-11(14)3/h5-7,11,14,16H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methylphenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113357371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).