2-(1-oxo-1-phenylpropan-2-yl)dodecanamide

C21H33NO2 — CID 67128608

IUPAC2-(1-oxo-1-phenylpropan-2-yl)dodecanamide
SMILESCCCCCCCCCCC(C(N)=O)C(C)C(=O)c1ccccc1
InChIInChI=1S/C21H33NO2/c1-3-4-5-6-7-8-9-13-16-19(21(22)24)17(2)20(23)18-14-11-10-12-15-18/h10-12,14-15,17,19H,3-9,13,16H2,1-2H3,(H2,22,24)
InChIKeyTWTAPYBZGRJZRO-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.14
Rot. Bonds13

About 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide

2-(1-oxo-1-phenylpropan-2-yl)dodecanamide (PubChem CID 67128608) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide.

Molecular Properties

Compound Name2-(1-oxo-1-phenylpropan-2-yl)dodecanamide
PubChem CID67128608
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name2-(1-oxo-1-phenylpropan-2-yl)dodecanamide
SMILESCCCCCCCCCCC(C(N)=O)C(C)C(=O)c1ccccc1
InChIInChI=1S/C21H33NO2/c1-3-4-5-6-7-8-9-13-16-19(21(22)24)17(2)20(23)18-14-11-10-12-15-18/h10-12,14-15,17,19H,3-9,13,16H2,1-2H3,(H2,22,24)
InChIKeyTWTAPYBZGRJZRO-UHFFFAOYSA-N
XLogP5.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyldodecanamide
CID 87280750
2-hexyl-3-(3-hydroxybutyl)-1-phenyloctan-1-one
CID 141148045
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-pentyl-1-phenylheptan-1-one
CID 67882345
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
benzyl (2R,3S)-3-hydroxy-2-methylundecanoate
CID 101265644
2-(1-aminoethyl)hexadecanamide
CID 18355676
3-methyl-2-tetradecylhenicosanamide
CID 175222412
3-amino-1-phenyloctadecan-1-one
CID 54040118
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
benzoic acid;2-octan-3-yloctadecaneperoxoic acid
CID 87883137
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide?
The IUPAC name of 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide (CID 67128608) is 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide.
What is the SMILES notation for 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide?
The canonical SMILES for 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide is CCCCCCCCCCC(C(N)=O)C(C)C(=O)c1ccccc1.
What is the InChIKey of 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide?
The InChIKey is TWTAPYBZGRJZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-3-4-5-6-7-8-9-13-16-19(21(22)24)17(2)20(23)18-14-11-10-12-15-18/h10-12,14-15,17,19H,3-9,13,16H2,1-2H3,(H2,22,24).
What are the key properties of 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide?
2-(1-oxo-1-phenylpropan-2-yl)dodecanamide has a molecular weight of 331.50 g/mol, XLogP of 5.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-phenylpropan-2-yl)dodecanamide is sourced from PubChem (CID 67128608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).