N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide

C23H22I6N4O4 — CID 88683769

IUPACN-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide
SMILESCC(=O)Nc1c(I)cc(I)c(N(CCCN(C(C)=O)c2c(I)cc(I)c(NC(C)=O)c2I)C(C)=O)c1I
InChIInChI=1S/C23H22I6N4O4/c1-10(34)30-20-14(24)8-16(26)22(18(20)28)32(12(3)36)6-5-7-33(13(4)37)23-17(27)9-15(25)21(19(23)29)31-11(2)35/h8-9H,5-7H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyZHZYOQMXQAWHIK-UHFFFAOYSA-N
MW1179.88 g/mol
LogP7.03
Rot. Bonds8

About N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide

N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide (PubChem CID 88683769) has the molecular formula C23H22I6N4O4 and a molecular weight of 1179.88 g/mol. Its IUPAC name is N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide
PubChem CID88683769
Molecular FormulaC23H22I6N4O4
Molecular Weight1179.88 g/mol
Exact Mass1179.59
IUPAC NameN-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide
SMILESCC(=O)Nc1c(I)cc(I)c(N(CCCN(C(C)=O)c2c(I)cc(I)c(NC(C)=O)c2I)C(C)=O)c1I
InChIInChI=1S/C23H22I6N4O4/c1-10(34)30-20-14(24)8-16(26)22(18(20)28)32(12(3)36)6-5-7-33(13(4)37)23-17(27)9-15(25)21(19(23)29)31-11(2)35/h8-9H,5-7H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyZHZYOQMXQAWHIK-UHFFFAOYSA-N
XLogP7.03
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.88
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide 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

3-acetamido-5-[acetyl-(6-ethoxy-6-oxohexyl)amino]-2,4,6-triiodobenzoic acid
CID 11228016
3-acetamido-2,4,6-triiodobenzoate
CID 4611060
3-acetamido-N-(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzamide
CID 57007599
(2R)-2-(3-acetamido-2,4,6-triiodophenyl)pentanoic acid
CID 129373346
N-(2,4,5-triiodophenyl)acetamide
CID 102056316
3-acetamido-2,4,6-triiodo-N-methylsulfonylbenzamide
CID 153287362
3-acetamido-5-[acetyl(methyl)amino]-N,N-bis(2-hydroxyethyl)-2,4,6-triiodobenzamide
CID 21438031
(2R)-2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl]butanoic acid
CID 129373350
butoxymethyl 3-acetamido-2,4,6-triiodobenzoate
CID 20548180
N-(3,5-diamino-2,4,6-triiodophenyl)acetamide
CID 88683947
2-[[3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl]amino]acetic acid
CID 12797212
3-[(2-hydroxyacetyl)amino]-N,N-bis(2-hydroxyethyl)-2,4,6-triiodobenzamide
CID 141232602

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide?
The IUPAC name of N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide (CID 88683769) is N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide.
What is the SMILES notation for N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide?
The canonical SMILES for N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide is CC(=O)Nc1c(I)cc(I)c(N(CCCN(C(C)=O)c2c(I)cc(I)c(NC(C)=O)c2I)C(C)=O)c1I.
What is the InChIKey of N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide?
The InChIKey is ZHZYOQMXQAWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22I6N4O4/c1-10(34)30-20-14(24)8-16(26)22(18(20)28)32(12(3)36)6-5-7-33(13(4)37)23-17(27)9-15(25)21(19(23)29)31-11(2)35/h8-9H,5-7H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide?
N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide has a molecular weight of 1179.88 g/mol, XLogP of 7.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-acetamido-N-acetyl-2,4,6-triiodoanilino)propyl-acetylamino]-2,4,6-triiodophenyl]acetamide is sourced from PubChem (CID 88683769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).