6-oxo-N-phenylhexanamide

C12H15NO2 — CID 19422082

IUPAC6-oxo-N-phenylhexanamide
SMILESO=CCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO2/c14-10-6-2-5-9-12(15)13-11-7-3-1-4-8-11/h1,3-4,7-8,10H,2,5-6,9H2,(H,13,15)
InChIKeySAFVBEYOKFUVGE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds6

About 6-oxo-N-phenylhexanamide

6-oxo-N-phenylhexanamide (PubChem CID 19422082) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-oxo-N-phenylhexanamide.

Molecular Properties

Compound Name6-oxo-N-phenylhexanamide
PubChem CID19422082
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-oxo-N-phenylhexanamide
SMILESO=CCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO2/c14-10-6-2-5-9-12(15)13-11-7-3-1-4-8-11/h1,3-4,7-8,10H,2,5-6,9H2,(H,13,15)
InChIKeySAFVBEYOKFUVGE-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-oxo-N-phenyloctanamide
CID 15739209
6-formamido-N-phenylhexanamide
CID 156509815
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenylpentacosanamide
CID 19025260
N-phenyl-9-sulfanylnonanamide
CID 89127947
7-bromo-N-phenylheptanamide
CID 11266084
N-phenylheptatetracontanamide
CID 150503307
formamide;N-phenylheptanamide
CID 143464966

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenylhexanamide?
The IUPAC name of 6-oxo-N-phenylhexanamide (CID 19422082) is 6-oxo-N-phenylhexanamide.
What is the SMILES notation for 6-oxo-N-phenylhexanamide?
The canonical SMILES for 6-oxo-N-phenylhexanamide is O=CCCCCC(=O)Nc1ccccc1.
What is the InChIKey of 6-oxo-N-phenylhexanamide?
The InChIKey is SAFVBEYOKFUVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-10-6-2-5-9-12(15)13-11-7-3-1-4-8-11/h1,3-4,7-8,10H,2,5-6,9H2,(H,13,15).
What are the key properties of 6-oxo-N-phenylhexanamide?
6-oxo-N-phenylhexanamide has a molecular weight of 205.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenylhexanamide is sourced from PubChem (CID 19422082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).