N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide

C13H18N2O2 — CID 43120810

IUPACN-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(O)CN2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-8-3-4-11(9(2)5-8)15-13(17)12-6-10(16)7-14-12/h3-5,10,12,14,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyQLUWHRSQCGEBEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.96
Rot. Bonds2

About N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide

N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43120810) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43120810
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(O)CN2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-8-3-4-11(9(2)5-8)15-13(17)12-6-10(16)7-14-12/h3-5,10,12,14,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyQLUWHRSQCGEBEG-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
N-(2,4-dimethylphenyl)piperazine-2-carboxamide
CID 55178030
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
N-(2,4-dimethyl-5-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 104757751
N-(2,5-dimethyl-4-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103145458
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119671777
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 154889286

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 43120810) is N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CC(O)CN2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QLUWHRSQCGEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-3-4-11(9(2)5-8)15-13(17)12-6-10(16)7-14-12/h3-5,10,12,14,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43120810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).