3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide

C15H21NO6 — CID 51103131

IUPAC3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
SMILESCOc1cc(C(=O)NOC2CCCCO2)cc(OC)c1OC
InChIInChI=1S/C15H21NO6/c1-18-11-8-10(9-12(19-2)14(11)20-3)15(17)16-22-13-6-4-5-7-21-13/h8-9,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyMUSRNSHMIJRWIZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.90
Rot. Bonds6

About 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide

3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide (PubChem CID 51103131) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
PubChem CID51103131
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
SMILESCOc1cc(C(=O)NOC2CCCCO2)cc(OC)c1OC
InChIInChI=1S/C15H21NO6/c1-18-11-8-10(9-12(19-2)14(11)20-3)15(17)16-22-13-6-4-5-7-21-13/h8-9,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyMUSRNSHMIJRWIZ-UHFFFAOYSA-N
XLogP1.90
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 52829220
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
4-(oxan-2-yloxy)-1-(3,4,5-trimethoxyphenyl)but-2-yn-1-one
CID 10914609
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
CID 94825511
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide (CID 51103131) is 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide is COc1cc(C(=O)NOC2CCCCO2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide?
The InChIKey is MUSRNSHMIJRWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6/c1-18-11-8-10(9-12(19-2)14(11)20-3)15(17)16-22-13-6-4-5-7-21-13/h8-9,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide?
3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide has a molecular weight of 311.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 51103131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).