4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2O3 — CID 119709484

IUPAC4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CC(O)CN2)c(C)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-8-5-10(18-2)3-4-11(8)15-13(17)12-6-9(16)7-14-12;/h3-5,9,12,14,16H,6-7H2,1-2H3,(H,15,17);1H
InChIKeyYERTVVJUJGTRRZ-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.09
Rot. Bonds3

About 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119709484) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119709484
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CC(O)CN2)c(C)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-8-5-10(18-2)3-4-11(8)15-13(17)12-6-9(16)7-14-12;/h3-5,9,12,14,16H,6-7H2,1-2H3,(H,15,17);1H
InChIKeyYERTVVJUJGTRRZ-UHFFFAOYSA-N
XLogP1.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76951044
N-(2,4-dimethyl-5-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 104757751
N-(2,5-dimethyl-4-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103145458

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119709484) is 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(NC(=O)C2CC(O)CN2)c(C)c1.Cl.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YERTVVJUJGTRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-8-5-10(18-2)3-4-11(8)15-13(17)12-6-9(16)7-14-12;/h3-5,9,12,14,16H,6-7H2,1-2H3,(H,15,17);1H.
What are the key properties of 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119709484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).