amino 9-oxo-9-phenylnonanoate

C15H21NO3 — CID 174840256

IUPACamino 9-oxo-9-phenylnonanoate
SMILESNOC(=O)CCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c16-19-15(18)12-8-3-1-2-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12,16H2
InChIKeyNULSABUUFKIJRY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.02
Rot. Bonds9

About amino 9-oxo-9-phenylnonanoate

amino 9-oxo-9-phenylnonanoate (PubChem CID 174840256) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is amino 9-oxo-9-phenylnonanoate.

Molecular Properties

Compound Nameamino 9-oxo-9-phenylnonanoate
PubChem CID174840256
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameamino 9-oxo-9-phenylnonanoate
SMILESNOC(=O)CCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c16-19-15(18)12-8-3-1-2-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12,16H2
InChIKeyNULSABUUFKIJRY-UHFFFAOYSA-N
XLogP3.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,15-diphenylpentadecane-1,15-dione
CID 159981687
amino 9-(4-iodophenyl)-9-oxononanoate
CID 174840232
bis[(13-oxo-13-phenyltridecanoyl)oxy]alumanyl 13-oxo-13-phenyltridecanoate
CID 140673625
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
(3-oxo-3-phenylpropyl) octadecanoate
CID 57115638
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenylheptadecan-1-one
CID 577626
1-phenyldodecane-1,11-dione
CID 13147766
(4-oxo-4-phenylbutyl) 4-oxo-4-phenylbutanoate
CID 101243722
5-oxo-5-phenylpentanamide
CID 3787245
phenacyl tetradecanoate
CID 15920280
phenacyl octadecanoate
CID 14178755

Frequently Asked Questions

What is the IUPAC name of amino 9-oxo-9-phenylnonanoate?
The IUPAC name of amino 9-oxo-9-phenylnonanoate (CID 174840256) is amino 9-oxo-9-phenylnonanoate.
What is the SMILES notation for amino 9-oxo-9-phenylnonanoate?
The canonical SMILES for amino 9-oxo-9-phenylnonanoate is NOC(=O)CCCCCCCC(=O)c1ccccc1.
What is the InChIKey of amino 9-oxo-9-phenylnonanoate?
The InChIKey is NULSABUUFKIJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-19-15(18)12-8-3-1-2-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12,16H2.
What are the key properties of amino 9-oxo-9-phenylnonanoate?
amino 9-oxo-9-phenylnonanoate has a molecular weight of 263.34 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 9-oxo-9-phenylnonanoate is sourced from PubChem (CID 174840256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).