N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide

C13H18INO2 — CID 103896465

IUPACN-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
SMILESCCOCCN(C)C(=O)c1cccc(C)c1I
InChIInChI=1S/C13H18INO2/c1-4-17-9-8-15(3)13(16)11-7-5-6-10(2)12(11)14/h5-7H,4,8-9H2,1-3H3
InChIKeyHJYHJQWCLDGTGD-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.71
Rot. Bonds5

About N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide

N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide (PubChem CID 103896465) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
PubChem CID103896465
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
SMILESCCOCCN(C)C(=O)c1cccc(C)c1I
InChIInChI=1S/C13H18INO2/c1-4-17-9-8-15(3)13(16)11-7-5-6-10(2)12(11)14/h5-7H,4,8-9H2,1-3H3
InChIKeyHJYHJQWCLDGTGD-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
4-[(2-iodo-3-methylbenzoyl)-methylamino]butanoic acid
CID 103790174
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
2-[2-ethoxyethyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429188
N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide
CID 143076644
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide (CID 103896465) is N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide is CCOCCN(C)C(=O)c1cccc(C)c1I.
What is the InChIKey of N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide?
The InChIKey is HJYHJQWCLDGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-4-17-9-8-15(3)13(16)11-7-5-6-10(2)12(11)14/h5-7H,4,8-9H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide?
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide is sourced from PubChem (CID 103896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).