N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide

C13H16IN3O3 — CID 47226232

IUPACN-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C13H16IN3O3/c1-8-7-10(14)3-4-11(8)17-13(20)12(19)16-6-5-15-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyYNVQIERPBKVFMN-UHFFFAOYSA-N
MW389.19 g/mol
LogP0.79
Rot. Bonds4

About N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide

N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide (PubChem CID 47226232) has the molecular formula C13H16IN3O3 and a molecular weight of 389.19 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
PubChem CID47226232
Molecular FormulaC13H16IN3O3
Molecular Weight389.19 g/mol
Exact Mass389.02
IUPAC NameN-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C13H16IN3O3/c1-8-7-10(14)3-4-11(8)17-13(20)12(19)16-6-5-15-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyYNVQIERPBKVFMN-UHFFFAOYSA-N
XLogP0.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide (CID 47226232) is N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide is CC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is YNVQIERPBKVFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3O3/c1-8-7-10(14)3-4-11(8)17-13(20)12(19)16-6-5-15-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 389.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 47226232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).