N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide

C12H15NO4 — CID 54908963

IUPACN-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC1COCCO1)c1ccccc1O
InChIInChI=1S/C12H15NO4/c14-11-4-2-1-3-10(11)12(15)13-7-9-8-16-5-6-17-9/h1-4,9,14H,5-8H2,(H,13,15)
InChIKeyGELNDHDZGPICAY-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.54
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide

N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide (PubChem CID 54908963) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
PubChem CID54908963
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC1COCCO1)c1ccccc1O
InChIInChI=1S/C12H15NO4/c14-11-4-2-1-3-10(11)12(15)13-7-9-8-16-5-6-17-9/h1-4,9,14H,5-8H2,(H,13,15)
InChIKeyGELNDHDZGPICAY-UHFFFAOYSA-N
XLogP0.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
CID 97013900
N-(1,4-dioxan-2-ylmethyl)-2-(4-fluorobenzoyl)benzamide
CID 71938613
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 94630233
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide (CID 54908963) is N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide is O=C(NCC1COCCO1)c1ccccc1O.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
The InChIKey is GELNDHDZGPICAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11-4-2-1-3-10(11)12(15)13-7-9-8-16-5-6-17-9/h1-4,9,14H,5-8H2,(H,13,15).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide?
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide has a molecular weight of 237.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 54908963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).