2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide

C24H44I4N4O4-2 — CID 148669249

IUPAC2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide
SMILESCCCCCC(=O)NCCCCC(NC(=O)CCCCC)C(=O)NC(CCCCN[I-]I)C(=O)[I-]I
InChIInChI=1S/C24H44I4N4O4/c1-3-5-7-15-21(33)29-17-11-9-14-20(31-22(34)16-8-6-4-2)24(36)32-19(23(35)27-25)13-10-12-18-30-28-26/h19-20,30H,3-18H2,1-2H3,(H,29,33)(H,31,34)(H,32,36)/q-2
InChIKeySFHJIKLUAJBHNC-UHFFFAOYSA-N
MW960.26 g/mol
LogP-1.52
Rot. Bonds24

About 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide

2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide (PubChem CID 148669249) has the molecular formula C24H44I4N4O4-2 and a molecular weight of 960.26 g/mol. Its IUPAC name is 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide.

Molecular Properties

Compound Name2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide
PubChem CID148669249
Molecular FormulaC24H44I4N4O4-2
Molecular Weight960.26 g/mol
Exact Mass959.96
IUPAC Name2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide
SMILESCCCCCC(=O)NCCCCC(NC(=O)CCCCC)C(=O)NC(CCCCN[I-]I)C(=O)[I-]I
InChIInChI=1S/C24H44I4N4O4/c1-3-5-7-15-21(33)29-17-11-9-14-20(31-22(34)16-8-6-4-2)24(36)32-19(23(35)27-25)13-10-12-18-30-28-26/h19-20,30H,3-18H2,1-2H3,(H,29,33)(H,31,34)(H,32,36)/q-2
InChIKeySFHJIKLUAJBHNC-UHFFFAOYSA-N
XLogP-1.52
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500960.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide 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

2,6-bis(hexanoylamino)-N-[7-(hexylamino)-2-oxoheptan-3-yl]hexanamide
CID 118183467
N-[6-[2-(butanoylamino)ethylamino]-5-(octanoylamino)-6-oxohexyl]octanamide
CID 129160890
N-(7-amino-2-oxoheptan-3-yl)-6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanamide
CID 144955370
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986
2-[[6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanoyl]amino]-6-(pentanoylamino)hexanamide
CID 144955525
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
[6-amino-5-[6-[[12-azaniumyl-8-[[6-azaniumyl-2-(dodecanoylamino)hexanoyl]amino]-7-oxododecanoyl]amino]hexanoylamino]-6-oxohexyl]azanium
CID 71591957
methyl 2,6-bis(hexanoylamino)hexanoate
CID 102032738
(2S)-2,6-bis[[(2S)-4-carboxy-2-(tetradecanoylamino)butanoyl]amino]hexanoic acid
CID 102099724
N-[1-(2-aminoethylamino)-1-oxohexan-2-yl]-2-(octanoylamino)octanamide
CID 90159636
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide?
The IUPAC name of 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide (CID 148669249) is 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide.
What is the SMILES notation for 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide?
The canonical SMILES for 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide is CCCCCC(=O)NCCCCC(NC(=O)CCCCC)C(=O)NC(CCCCN[I-]I)C(=O)[I-]I.
What is the InChIKey of 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide?
The InChIKey is SFHJIKLUAJBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44I4N4O4/c1-3-5-7-15-21(33)29-17-11-9-14-20(31-22(34)16-8-6-4-2)24(36)32-19(23(35)27-25)13-10-12-18-30-28-26/h19-20,30H,3-18H2,1-2H3,(H,29,33)(H,31,34)(H,32,36)/q-2.
What are the key properties of 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide?
2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide has a molecular weight of 960.26 g/mol, XLogP of -1.52, 24 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hexanoylamino)-N-[1-iodoiodanuidyl-6-(iodoiodanuidylamino)-1-oxohexan-2-yl]hexanamide is sourced from PubChem (CID 148669249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).