N-nonyl-3-oxo-4-phenylbutanamide

C19H29NO2 — CID 155549387

IUPACN-nonyl-3-oxo-4-phenylbutanamide
SMILESCCCCCCCCCNC(=O)CC(=O)Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-11-14-20-19(22)16-18(21)15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3,(H,20,22)
InChIKeyUOOACNJPVBJOHT-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.06
Rot. Bonds12

About N-nonyl-3-oxo-4-phenylbutanamide

N-nonyl-3-oxo-4-phenylbutanamide (PubChem CID 155549387) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-nonyl-3-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-nonyl-3-oxo-4-phenylbutanamide
PubChem CID155549387
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-nonyl-3-oxo-4-phenylbutanamide
SMILESCCCCCCCCCNC(=O)CC(=O)Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-11-14-20-19(22)16-18(21)15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3,(H,20,22)
InChIKeyUOOACNJPVBJOHT-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of N-nonyl-3-oxo-4-phenylbutanamide?
The IUPAC name of N-nonyl-3-oxo-4-phenylbutanamide (CID 155549387) is N-nonyl-3-oxo-4-phenylbutanamide.
What is the SMILES notation for N-nonyl-3-oxo-4-phenylbutanamide?
The canonical SMILES for N-nonyl-3-oxo-4-phenylbutanamide is CCCCCCCCCNC(=O)CC(=O)Cc1ccccc1.
What is the InChIKey of N-nonyl-3-oxo-4-phenylbutanamide?
The InChIKey is UOOACNJPVBJOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-5-6-7-11-14-20-19(22)16-18(21)15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3,(H,20,22).
What are the key properties of N-nonyl-3-oxo-4-phenylbutanamide?
N-nonyl-3-oxo-4-phenylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-3-oxo-4-phenylbutanamide is sourced from PubChem (CID 155549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).