N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide

C17H17NO4 — CID 670767

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-20-14-6-4-3-5-13(14)17(19)18-10-12-7-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyGEVXWXFKVIAPFP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.74
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide (PubChem CID 670767) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide
PubChem CID670767
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-20-14-6-4-3-5-13(14)17(19)18-10-12-7-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyGEVXWXFKVIAPFP-UHFFFAOYSA-N
XLogP2.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Itopride
CID 3792
Itopride Hydrochloride
CID 129791
Oxyberberine
CID 11066
N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
N-cyclohexyl-1,3-benzodioxole-5-carboxamide
CID 669586
Piperazine, 1-benzoyl-4-piperonyl-
CID 201764
Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CID 4289057
N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
(E)-N-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 18159637
3-(6-Ethenyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methylisoquinolin-1-one
CID 10021739
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide (CID 670767) is N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide?
The InChIKey is GEVXWXFKVIAPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-20-14-6-4-3-5-13(14)17(19)18-10-12-7-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide has a molecular weight of 299.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxybenzamide is sourced from PubChem (CID 670767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).