2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide

C13H18N2O2 — CID 113457521

IUPAC2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CNCC2C)c(O)c1
InChIInChI=1S/C13H18N2O2/c1-8-3-4-10(12(16)5-8)13(17)15-11-7-14-6-9(11)2/h3-5,9,11,14,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyOCLSYFIAVILRRF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds2

About 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide

2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide (PubChem CID 113457521) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
PubChem CID113457521
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CNCC2C)c(O)c1
InChIInChI=1S/C13H18N2O2/c1-8-3-4-10(12(16)5-8)13(17)15-11-7-14-6-9(11)2/h3-5,9,11,14,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyOCLSYFIAVILRRF-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 107721876
2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 106500907
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
CID 43594423
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312
5-methyl-N-(4-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 114819355
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
3-methyl-N-(4-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 104826170
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
CID 79711256

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide (CID 113457521) is 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CNCC2C)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
The InChIKey is OCLSYFIAVILRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-3-4-10(12(16)5-8)13(17)15-11-7-14-6-9(11)2/h3-5,9,11,14,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 113457521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).