N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide

C14H18I3NO6 — CID 141472567

IUPACN-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide
SMILESO=C(CO)N(CC(O)CO)c1c(I)cc(I)c(CC(O)CO)c1I
InChIInChI=1S/C14H18I3NO6/c15-10-2-11(16)14(13(17)9(10)1-7(22)4-19)18(12(24)6-21)3-8(23)5-20/h2,7-8,19-23H,1,3-6H2
InChIKeyNKEYMAZTCRBONE-UHFFFAOYSA-N
MW677.01 g/mol
LogP0.07
Rot. Bonds8

About N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide

N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide (PubChem CID 141472567) has the molecular formula C14H18I3NO6 and a molecular weight of 677.01 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide
PubChem CID141472567
Molecular FormulaC14H18I3NO6
Molecular Weight677.01 g/mol
Exact Mass676.83
IUPAC NameN-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide
SMILESO=C(CO)N(CC(O)CO)c1c(I)cc(I)c(CC(O)CO)c1I
InChIInChI=1S/C14H18I3NO6/c15-10-2-11(16)14(13(17)9(10)1-7(22)4-19)18(12(24)6-21)3-8(23)5-20/h2,7-8,19-23H,1,3-6H2
InChIKeyNKEYMAZTCRBONE-UHFFFAOYSA-N
XLogP0.07
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.01
LogP ≤ 50.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide 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-[2,3-dihydroxypropyl-[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-N-(2-hydroxyethyl)-2,4,6-triiodobenzamide
CID 57040132
2,3-dihydroxypropyl 3,5-bis[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzoate
CID 19987836
5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxylic acid
CID 150667538
3-[[1-[[3-[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodobenzoyl]-[(2-hydroxyacetyl)amino]amino]-2-hydroxypropyl]-[(2-hydroxyacetyl)amino]carbamoyl]-N,N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzamide
CID 87574312
acetic acid;1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 23224314
3-N-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 21466690
5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodo-1-N,3-N-bis(1,4,5-trihydroxypentan-2-yl)benzene-1,3-dicarboxamide
CID 19777545
3-[acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-5-(hydroxymethyl)-2,4,6-triiodobenzamide
CID 18429229
N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-(2-methoxyacetyl)-N-methylbenzamide
CID 141409901
5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2-ethyl-4,6-diiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2-ethyl-4,6-diiodobenzene-1,3-dicarboxamide
CID 129126366
5-[acetyl-[(2R)-2,3-dihydroxypropyl]amino]-1-N,3-N-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 73416157
5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4-diiodo-6-methylbenzene-1,3-dicarboxamide
CID 138724374

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide (CID 141472567) is N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide is O=C(CO)N(CC(O)CO)c1c(I)cc(I)c(CC(O)CO)c1I.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide?
The InChIKey is NKEYMAZTCRBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18I3NO6/c15-10-2-11(16)14(13(17)9(10)1-7(22)4-19)18(12(24)6-21)3-8(23)5-20/h2,7-8,19-23H,1,3-6H2.
What are the key properties of N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide?
N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide has a molecular weight of 677.01 g/mol, XLogP of 0.07, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-[3-(2,3-dihydroxypropyl)-2,4,6-triiodophenyl]-2-hydroxyacetamide is sourced from PubChem (CID 141472567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).