N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide

C14H20N2O2 — CID 79388995

IUPACN-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC2C)c(C)c1O
InChIInChI=1S/C14H20N2O2/c1-8-4-5-12(9(2)13(8)17)16-14(18)11-6-7-15-10(11)3/h4-5,10-11,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyONMIYBTXCOMNEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds2

About N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide

N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388995) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388995
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC2C)c(C)c1O
InChIInChI=1S/C14H20N2O2/c1-8-4-5-12(9(2)13(8)17)16-14(18)11-6-7-15-10(11)3/h4-5,10-11,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyONMIYBTXCOMNEC-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79388584
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79378122
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79769596
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide (CID 79388995) is N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CCNC2C)c(C)c1O.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is ONMIYBTXCOMNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-8-4-5-12(9(2)13(8)17)16-14(18)11-6-7-15-10(11)3/h4-5,10-11,15,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide?
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).