2-phenylacetamide;1-phenylhexan-1-one

C20H25NO2 — CID 174766102

IUPAC2-phenylacetamide;1-phenylhexan-1-one
SMILESCCCCCC(=O)c1ccccc1.NC(=O)Cc1ccccc1
InChIInChI=1S/C12H16O.C8H9NO/c1-2-3-5-10-12(13)11-8-6-4-7-9-11;9-8(10)6-7-4-2-1-3-5-7/h4,6-9H,2-3,5,10H2,1H3;1-5H,6H2,(H2,9,10)
InChIKeySWVJVSPQUYRZFA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.16
Rot. Bonds7

About 2-phenylacetamide;1-phenylhexan-1-one

2-phenylacetamide;1-phenylhexan-1-one (PubChem CID 174766102) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-phenylacetamide;1-phenylhexan-1-one.

Molecular Properties

Compound Name2-phenylacetamide;1-phenylhexan-1-one
PubChem CID174766102
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-phenylacetamide;1-phenylhexan-1-one
SMILESCCCCCC(=O)c1ccccc1.NC(=O)Cc1ccccc1
InChIInChI=1S/C12H16O.C8H9NO/c1-2-3-5-10-12(13)11-8-6-4-7-9-11;9-8(10)6-7-4-2-1-3-5-7/h4,6-9H,2-3,5,10H2,1H3;1-5H,6H2,(H2,9,10)
InChIKeySWVJVSPQUYRZFA-UHFFFAOYSA-N
XLogP4.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.16
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

1-phenylheptadecan-1-one
CID 577626
ethane;1-phenylpentan-1-one
CID 143728184
5-oxo-5-phenylpentanamide
CID 3787245
1-phenylnonane-1,4-dione
CID 570990
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylheptadecan-2-one
CID 12920609
(3-oxo-3-phenylpropyl) octadecanoate
CID 57115638
benzamide;hexanoic acid
CID 19438402
1-phenylbutan-1-one
CID 10315
1-(3-ethylphenyl)octan-1-one
CID 115788827
4-pentylsulfonyl-1-phenylbutan-1-one
CID 107764488

Frequently Asked Questions

What is the IUPAC name of 2-phenylacetamide;1-phenylhexan-1-one?
The IUPAC name of 2-phenylacetamide;1-phenylhexan-1-one (CID 174766102) is 2-phenylacetamide;1-phenylhexan-1-one.
What is the SMILES notation for 2-phenylacetamide;1-phenylhexan-1-one?
The canonical SMILES for 2-phenylacetamide;1-phenylhexan-1-one is CCCCCC(=O)c1ccccc1.NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenylacetamide;1-phenylhexan-1-one?
The InChIKey is SWVJVSPQUYRZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C8H9NO/c1-2-3-5-10-12(13)11-8-6-4-7-9-11;9-8(10)6-7-4-2-1-3-5-7/h4,6-9H,2-3,5,10H2,1H3;1-5H,6H2,(H2,9,10).
What are the key properties of 2-phenylacetamide;1-phenylhexan-1-one?
2-phenylacetamide;1-phenylhexan-1-one has a molecular weight of 311.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylacetamide;1-phenylhexan-1-one is sourced from PubChem (CID 174766102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).