N-nonyl-3-oxo-3-phenylpropanamide

C18H27NO2 — CID 11536588

IUPACN-nonyl-3-oxo-3-phenylpropanamide
SMILESCCCCCCCCCNC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-2-3-4-5-6-7-11-14-19-18(21)15-17(20)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3,(H,19,21)
InChIKeyCEDIHMZHLKYWFN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.13
Rot. Bonds11

About N-nonyl-3-oxo-3-phenylpropanamide

N-nonyl-3-oxo-3-phenylpropanamide (PubChem CID 11536588) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-nonyl-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-nonyl-3-oxo-3-phenylpropanamide
PubChem CID11536588
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-nonyl-3-oxo-3-phenylpropanamide
SMILESCCCCCCCCCNC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-2-3-4-5-6-7-11-14-19-18(21)15-17(20)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3,(H,19,21)
InChIKeyCEDIHMZHLKYWFN-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Monomethylpropion
CID 1576
N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
N-Phenacylbenzamide
CID 259631
Buphedrone
CID 53249194
N-Isopropylbenzamide
CID 79503
N-(2-Methylpropyl)benzamide
CID 95140
Pentedrone
CID 57501499
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
Ethcathinone
CID 458519

Frequently Asked Questions

What is the IUPAC name of N-nonyl-3-oxo-3-phenylpropanamide?
The IUPAC name of N-nonyl-3-oxo-3-phenylpropanamide (CID 11536588) is N-nonyl-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-nonyl-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-nonyl-3-oxo-3-phenylpropanamide is CCCCCCCCCNC(=O)CC(=O)c1ccccc1.
What is the InChIKey of N-nonyl-3-oxo-3-phenylpropanamide?
The InChIKey is CEDIHMZHLKYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-11-14-19-18(21)15-17(20)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3,(H,19,21).
What are the key properties of N-nonyl-3-oxo-3-phenylpropanamide?
N-nonyl-3-oxo-3-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 11536588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).