3-oxo-N-(2-phenylethyl)dodecanamide

C20H31NO2 — CID 50991276

IUPAC3-oxo-N-(2-phenylethyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3,(H,21,23)
InChIKeyOZTORYKNULRIFE-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.45
Rot. Bonds13

About 3-oxo-N-(2-phenylethyl)dodecanamide

3-oxo-N-(2-phenylethyl)dodecanamide (PubChem CID 50991276) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 3-oxo-N-(2-phenylethyl)dodecanamide.

Molecular Properties

Compound Name3-oxo-N-(2-phenylethyl)dodecanamide
PubChem CID50991276
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name3-oxo-N-(2-phenylethyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3,(H,21,23)
InChIKeyOZTORYKNULRIFE-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.45
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 3-oxo-N-(2-phenylethyl)dodecanamide?
The IUPAC name of 3-oxo-N-(2-phenylethyl)dodecanamide (CID 50991276) is 3-oxo-N-(2-phenylethyl)dodecanamide.
What is the SMILES notation for 3-oxo-N-(2-phenylethyl)dodecanamide?
The canonical SMILES for 3-oxo-N-(2-phenylethyl)dodecanamide is CCCCCCCCCC(=O)CC(=O)NCCc1ccccc1.
What is the InChIKey of 3-oxo-N-(2-phenylethyl)dodecanamide?
The InChIKey is OZTORYKNULRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3,(H,21,23).
What are the key properties of 3-oxo-N-(2-phenylethyl)dodecanamide?
3-oxo-N-(2-phenylethyl)dodecanamide has a molecular weight of 317.47 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-phenylethyl)dodecanamide is sourced from PubChem (CID 50991276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).