2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide

C13H17NO3 — CID 113346628

IUPAC2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c1-13(6-3-7-13)14-12(16)10-5-4-9(17-2)8-11(10)15/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyPTVTXGNFFNYVBC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.07
Rot. Bonds3

About 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide

2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide (PubChem CID 113346628) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
PubChem CID113346628
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c1-13(6-3-7-13)14-12(16)10-5-4-9(17-2)8-11(10)15/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyPTVTXGNFFNYVBC-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
CID 79877931
2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide (CID 113346628) is 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide is COc1ccc(C(=O)NC2(C)CCC2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide?
The InChIKey is PTVTXGNFFNYVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(6-3-7-13)14-12(16)10-5-4-9(17-2)8-11(10)15/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide?
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 113346628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).