N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide

C13H17IN2O4 — CID 108516409

IUPACN-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(I)cc1C)OC
InChIInChI=1S/C13H17IN2O4/c1-8-6-9(14)4-5-10(8)16-13(18)12(17)15-7-11(19-2)20-3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyVRZZFDFGHWQEAX-UHFFFAOYSA-N
MW392.19 g/mol
LogP1.27
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide

N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide (PubChem CID 108516409) has the molecular formula C13H17IN2O4 and a molecular weight of 392.19 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
PubChem CID108516409
Molecular FormulaC13H17IN2O4
Molecular Weight392.19 g/mol
Exact Mass392.02
IUPAC NameN-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(I)cc1C)OC
InChIInChI=1S/C13H17IN2O4/c1-8-6-9(14)4-5-10(8)16-13(18)12(17)15-7-11(19-2)20-3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyVRZZFDFGHWQEAX-UHFFFAOYSA-N
XLogP1.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide (CID 108516409) is N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(I)cc1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is VRZZFDFGHWQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O4/c1-8-6-9(14)4-5-10(8)16-13(18)12(17)15-7-11(19-2)20-3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 392.19 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 108516409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).