N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide

C17H17NO3 — CID 60655508

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-18(17(19)14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)21-12-20-15/h3-10H,2,11-12H2,1H3
InChIKeyBFDONJDSNILZAY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide (PubChem CID 60655508) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
PubChem CID60655508
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-18(17(19)14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)21-12-20-15/h3-10H,2,11-12H2,1H3
InChIKeyBFDONJDSNILZAY-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 51190042
4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide
CID 56545443
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8752036
4-[[[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]amino]methyl]benzoic acid
CID 122019865
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 47013458
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(thiophene-2-carbonyl)benzamide
CID 51190159
4-[(1,3-benzodioxol-5-ylmethylcarbamoylamino)methyl]-N,N-diethylbenzamide
CID 38270534
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-triazole-4-carboxamide
CID 47335003
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide (CID 60655508) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide?
The InChIKey is BFDONJDSNILZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-18(17(19)14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)21-12-20-15/h3-10H,2,11-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide is sourced from PubChem (CID 60655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).