(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide

C14H20N2O — CID 93042188

IUPAC(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H20N2O/c1-11-6-3-4-7-12(11)10-16(2)14(17)13-8-5-9-15-13/h3-4,6-7,13,15H,5,8-10H2,1-2H3/t13-/m1/s1
InChIKeySNCGMZATLOKZMR-CYBMUJFWSA-N
MW232.33 g/mol
LogP1.71
Rot. Bonds3

About (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide

(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 93042188) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID93042188
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H20N2O/c1-11-6-3-4-7-12(11)10-16(2)14(17)13-8-5-9-15-13/h3-4,6-7,13,15H,5,8-10H2,1-2H3/t13-/m1/s1
InChIKeySNCGMZATLOKZMR-CYBMUJFWSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
CID 115178034
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 93042188) is (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1ccccc1CN(C)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SNCGMZATLOKZMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-3-4-7-12(11)10-16(2)14(17)13-8-5-9-15-13/h3-4,6-7,13,15H,5,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 93042188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).