(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide

C13H18N2O2 — CID 92930229

IUPAC(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-9-8-10(17-2)5-6-11(9)15-13(16)12-4-3-7-14-12/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyGETDWZIXNWUZIA-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds3

About (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 92930229) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID92930229
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-9-8-10(17-2)5-6-11(9)15-13(16)12-4-3-7-14-12/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyGETDWZIXNWUZIA-GFCCVEGCSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
CID 119299818
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide (CID 92930229) is (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN2)c(C)c1.
What is the InChIKey of (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is GETDWZIXNWUZIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-10(17-2)5-6-11(9)15-13(16)12-4-3-7-14-12/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92930229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).