N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide

C15H22N2O — CID 64680133

IUPACN-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)C1(C)CCCN1
InChIInChI=1S/C15H22N2O/c1-3-12-7-4-5-8-13(12)11-16-14(18)15(2)9-6-10-17-15/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,16,18)
InChIKeyCRBMXCGLPVSOQK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide

N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 64680133) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID64680133
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)C1(C)CCCN1
InChIInChI=1S/C15H22N2O/c1-3-12-7-4-5-8-13(12)11-16-14(18)15(2)9-6-10-17-15/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,16,18)
InChIKeyCRBMXCGLPVSOQK-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 83071908
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106370884
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
CID 64530559
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 83062780
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
CID 110012580

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide (CID 64680133) is N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide is CCc1ccccc1CNC(=O)C1(C)CCCN1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is CRBMXCGLPVSOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-7-4-5-8-13(12)11-16-14(18)15(2)9-6-10-17-15/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64680133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).