5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide

C19H26I3N3O3 — CID 87572621

IUPAC5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1c(I)c(C(=O)NCCC)c(I)c(N(CCC)C(C)=O)c1I
InChIInChI=1S/C19H26I3N3O3/c1-5-8-23-18(27)12-14(20)13(19(28)24-9-6-2)16(22)17(15(12)21)25(10-7-3)11(4)26/h5-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyYQBAHLFEXWMUIZ-UHFFFAOYSA-N
MW725.15 g/mol
LogP4.54
Rot. Bonds9

About 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide

5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 87572621) has the molecular formula C19H26I3N3O3 and a molecular weight of 725.15 g/mol. Its IUPAC name is 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID87572621
Molecular FormulaC19H26I3N3O3
Molecular Weight725.15 g/mol
Exact Mass724.91
IUPAC Name5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1c(I)c(C(=O)NCCC)c(I)c(N(CCC)C(C)=O)c1I
InChIInChI=1S/C19H26I3N3O3/c1-5-8-23-18(27)12-14(20)13(19(28)24-9-6-2)16(22)17(15(12)21)25(10-7-3)11(4)26/h5-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyYQBAHLFEXWMUIZ-UHFFFAOYSA-N
XLogP4.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500725.15
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 87572621) is 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCNC(=O)c1c(I)c(C(=O)NCCC)c(I)c(N(CCC)C(C)=O)c1I.
What is the InChIKey of 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is YQBAHLFEXWMUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26I3N3O3/c1-5-8-23-18(27)12-14(20)13(19(28)24-9-6-2)16(22)17(15(12)21)25(10-7-3)11(4)26/h5-10H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide?
5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 725.15 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(propyl)amino]-2,4,6-triiodo-1-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 87572621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).