N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide

C18H17IN2O5 — CID 55847087

IUPACN-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17IN2O5/c19-14-4-2-1-3-13(14)18(23)21-10-17(22)20-7-8-24-12-5-6-15-16(9-12)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,20,22)(H,21,23)
InChIKeyPJOCQRAGLNKEDK-UHFFFAOYSA-N
MW468.25 g/mol
LogP1.94
Rot. Bonds7

About N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide

N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 55847087) has the molecular formula C18H17IN2O5 and a molecular weight of 468.25 g/mol. Its IUPAC name is N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
PubChem CID55847087
Molecular FormulaC18H17IN2O5
Molecular Weight468.25 g/mol
Exact Mass468.02
IUPAC NameN-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17IN2O5/c19-14-4-2-1-3-13(14)18(23)21-10-17(22)20-7-8-24-12-5-6-15-16(9-12)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,20,22)(H,21,23)
InChIKeyPJOCQRAGLNKEDK-UHFFFAOYSA-N
XLogP1.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 55586921
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
CID 30350403
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-chloro-6-fluorobenzamide
CID 30350377
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide
CID 55747447
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide (CID 55847087) is N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide is O=C(CNC(=O)c1ccccc1I)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is PJOCQRAGLNKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O5/c19-14-4-2-1-3-13(14)18(23)21-10-17(22)20-7-8-24-12-5-6-15-16(9-12)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 468.25 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 55847087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).