N-phenylhexanamide

C12H17NO — CID 12118

IUPACN-phenylhexanamide
SMILESCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,13,14)
InChIKeyJBTCHCWUNMZNEO-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.21
Rot. Bonds5

About N-phenylhexanamide

N-phenylhexanamide (PubChem CID 12118) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-phenylhexanamide.

Molecular Properties

Compound NameN-phenylhexanamide
PubChem CID12118
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-phenylhexanamide
SMILESCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,13,14)
InChIKeyJBTCHCWUNMZNEO-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetanilide
CID 904
Vorinostat
CID 5311
N-(3-Methylphenyl)acetamide
CID 10843
2-Methylacetanilide
CID 12107
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
m-Aminoacetanilide
CID 7604
4-Aminoacetanilide
CID 31230
Butylacetanilide
CID 7051
Chloroacetanilide
CID 11485
Acetoacetanilide
CID 7592
Thioglycolic acid anilide
CID 10382

Frequently Asked Questions

What is the IUPAC name of N-phenylhexanamide?
The IUPAC name of N-phenylhexanamide (CID 12118) is N-phenylhexanamide.
What is the SMILES notation for N-phenylhexanamide?
The canonical SMILES for N-phenylhexanamide is CCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenylhexanamide?
The InChIKey is JBTCHCWUNMZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,13,14).
What are the key properties of N-phenylhexanamide?
N-phenylhexanamide has a molecular weight of 191.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylhexanamide is sourced from PubChem (CID 12118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).