6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate

C15H29INO6P — CID 155322185

IUPAC6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate
SMILESCC(C)(C)C(=O)CCCC(=O)NCCCCCCOP(=O)(O)OI
InChIInChI=1S/C15H29INO6P/c1-15(2,3)13(18)9-8-10-14(19)17-11-6-4-5-7-12-22-24(20,21)23-16/h4-12H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyUJADMPDEYHAOQM-UHFFFAOYSA-N
MW477.28 g/mol
LogP3.93
Rot. Bonds13

About 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate

6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate (PubChem CID 155322185) has the molecular formula C15H29INO6P and a molecular weight of 477.28 g/mol. Its IUPAC name is 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate.

Molecular Properties

Compound Name6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate
PubChem CID155322185
Molecular FormulaC15H29INO6P
Molecular Weight477.28 g/mol
Exact Mass477.08
IUPAC Name6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate
SMILESCC(C)(C)C(=O)CCCC(=O)NCCCCCCOP(=O)(O)OI
InChIInChI=1S/C15H29INO6P/c1-15(2,3)13(18)9-8-10-14(19)17-11-6-4-5-7-12-22-24(20,21)23-16/h4-12H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyUJADMPDEYHAOQM-UHFFFAOYSA-N
XLogP3.93
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
CID 118012875
tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid
CID 170389736
methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate
CID 140965700
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
potassium;hydride;[10-[[3-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-3-oxopropyl]disulfanyl]-8-oxodecyl] methyl hydrogen phosphate
CID 162033764
methyl-[6-[(4-methyl-4-methylsulfanylpentanoyl)amino]hexoxy]phosphinate
CID 162711103
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
methyl-[6-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]hexoxy]phosphinic acid
CID 160766083
6-[(2-azidoacetyl)amino]hexyl methyl phosphate
CID 59620616
N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide
CID 177366164

Frequently Asked Questions

What is the IUPAC name of 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate?
The IUPAC name of 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate (CID 155322185) is 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate.
What is the SMILES notation for 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate?
The canonical SMILES for 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate is CC(C)(C)C(=O)CCCC(=O)NCCCCCCOP(=O)(O)OI.
What is the InChIKey of 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate?
The InChIKey is UJADMPDEYHAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29INO6P/c1-15(2,3)13(18)9-8-10-14(19)17-11-6-4-5-7-12-22-24(20,21)23-16/h4-12H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate?
6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate has a molecular weight of 477.28 g/mol, XLogP of 3.93, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate is sourced from PubChem (CID 155322185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).