N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide

C18H19NO5 — CID 30350403

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-2-21-15-6-4-3-5-14(15)18(20)19-9-10-22-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKeyMNVQNJSFNSWPEF-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide (PubChem CID 30350403) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
PubChem CID30350403
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-2-21-15-6-4-3-5-14(15)18(20)19-9-10-22-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKeyMNVQNJSFNSWPEF-UHFFFAOYSA-N
XLogP2.62
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide
CID 55747447
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
CID 55847087
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55747263
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-chloro-6-fluorobenzamide
CID 30350377
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[2-(dimethylamino)propyl]urea
CID 154773996
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 55739563
2,3-dihydro-1,4-benzodioxin-6-yl 2-ethoxybenzoate
CID 86912466
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide (CID 30350403) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?
The InChIKey is MNVQNJSFNSWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-2-21-15-6-4-3-5-14(15)18(20)19-9-10-22-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide has a molecular weight of 329.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 30350403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).