amino 9-(4-iodophenyl)-9-oxononanoate

C15H20INO3 — CID 174840232

IUPACamino 9-(4-iodophenyl)-9-oxononanoate
SMILESNOC(=O)CCCCCCCC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H20INO3/c16-13-10-8-12(9-11-13)14(18)6-4-2-1-3-5-7-15(19)20-17/h8-11H,1-7,17H2
InChIKeyKRBCFVSUTMPSFI-UHFFFAOYSA-N
MW389.23 g/mol
LogP3.62
Rot. Bonds9

About amino 9-(4-iodophenyl)-9-oxononanoate

amino 9-(4-iodophenyl)-9-oxononanoate (PubChem CID 174840232) has the molecular formula C15H20INO3 and a molecular weight of 389.23 g/mol. Its IUPAC name is amino 9-(4-iodophenyl)-9-oxononanoate.

Molecular Properties

Compound Nameamino 9-(4-iodophenyl)-9-oxononanoate
PubChem CID174840232
Molecular FormulaC15H20INO3
Molecular Weight389.23 g/mol
Exact Mass389.05
IUPAC Nameamino 9-(4-iodophenyl)-9-oxononanoate
SMILESNOC(=O)CCCCCCCC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H20INO3/c16-13-10-8-12(9-11-13)14(18)6-4-2-1-3-5-7-15(19)20-17/h8-11H,1-7,17H2
InChIKeyKRBCFVSUTMPSFI-UHFFFAOYSA-N
XLogP3.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino 9-oxo-9-phenylnonanoate
CID 174840256
7-chloro-1-(4-iodophenyl)heptan-1-one
CID 24723863
6-chloro-1-(4-iodophenyl)hexan-1-one
CID 24723862
8-(4-iodophenyl)-8-oxooctanenitrile
CID 24723848
diamino tetradecanedioate
CID 174564109
1-(4-iodophenyl)-5-phenoxypentan-1-one
CID 86194293
ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327
2-[19-(4-aminophenyl)-19-oxononadecanoyl]oxyacetic acid
CID 20539768
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
cyclohexane;diamino decanedioate
CID 70626371
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188

Frequently Asked Questions

What is the IUPAC name of amino 9-(4-iodophenyl)-9-oxononanoate?
The IUPAC name of amino 9-(4-iodophenyl)-9-oxononanoate (CID 174840232) is amino 9-(4-iodophenyl)-9-oxononanoate.
What is the SMILES notation for amino 9-(4-iodophenyl)-9-oxononanoate?
The canonical SMILES for amino 9-(4-iodophenyl)-9-oxononanoate is NOC(=O)CCCCCCCC(=O)c1ccc(I)cc1.
What is the InChIKey of amino 9-(4-iodophenyl)-9-oxononanoate?
The InChIKey is KRBCFVSUTMPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO3/c16-13-10-8-12(9-11-13)14(18)6-4-2-1-3-5-7-15(19)20-17/h8-11H,1-7,17H2.
What are the key properties of amino 9-(4-iodophenyl)-9-oxononanoate?
amino 9-(4-iodophenyl)-9-oxononanoate has a molecular weight of 389.23 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 9-(4-iodophenyl)-9-oxononanoate is sourced from PubChem (CID 174840232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).