2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide

C13H17NO4 — CID 43610298

IUPAC2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCOCC2)c(O)c1
InChIInChI=1S/C13H17NO4/c1-17-10-2-3-11(12(15)8-10)13(16)14-9-4-6-18-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)
InChIKeyBOQRZGVFMLPWPD-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.31
Rot. Bonds3

About 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide

2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide (PubChem CID 43610298) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
PubChem CID43610298
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCOCC2)c(O)c1
InChIInChI=1S/C13H17NO4/c1-17-10-2-3-11(12(15)8-10)13(16)14-9-4-6-18-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)
InChIKeyBOQRZGVFMLPWPD-UHFFFAOYSA-N
XLogP1.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-(2-aminocyclopropyl)-2-hydroxy-4-methoxybenzamide
CID 43593875
2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-hydroxy-4-methoxybenzamide
CID 66195157
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide (CID 43610298) is 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide is COc1ccc(C(=O)NC2CCOCC2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide?
The InChIKey is BOQRZGVFMLPWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-10-2-3-11(12(15)8-10)13(16)14-9-4-6-18-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide?
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 43610298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).