(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide

C14H20N2O2 — CID 113263992

IUPAC(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1c(C)ccc(NC(=O)[C@H]2CCCN2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-6-7-11(10(2)13(9)18-3)16-14(17)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyDOAIPSTYMZYFTL-GFCCVEGCSA-N
MW248.33 g/mol
LogP2.00
Rot. Bonds3

About (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 113263992) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID113263992
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1c(C)ccc(NC(=O)[C@H]2CCCN2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-6-7-11(10(2)13(9)18-3)16-14(17)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyDOAIPSTYMZYFTL-GFCCVEGCSA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(4-methyl-1H-indazol-7-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307375
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide (CID 113263992) is (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide is COc1c(C)ccc(NC(=O)[C@H]2CCCN2)c1C.
What is the InChIKey of (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is DOAIPSTYMZYFTL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-7-11(10(2)13(9)18-3)16-14(17)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 113263992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).