N-ethyl-6-phenylhexanamide

C14H21NO — CID 70953257

IUPACN-ethyl-6-phenylhexanamide
SMILESCCNC(=O)CCCCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-15-14(16)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,15,16)
InChIKeyBMRWFEPFMJTZDX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds7

About N-ethyl-6-phenylhexanamide

N-ethyl-6-phenylhexanamide (PubChem CID 70953257) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-6-phenylhexanamide.

Molecular Properties

Compound NameN-ethyl-6-phenylhexanamide
PubChem CID70953257
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-6-phenylhexanamide
SMILESCCNC(=O)CCCCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-15-14(16)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,15,16)
InChIKeyBMRWFEPFMJTZDX-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
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

N-methyl-9-phenylnonanamide
CID 118028570
N-(4-phenylbutyl)hexanamide
CID 4985988
methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N,N'-diethylnonanediamide
CID 89048639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phenylhexanamide?
The IUPAC name of N-ethyl-6-phenylhexanamide (CID 70953257) is N-ethyl-6-phenylhexanamide.
What is the SMILES notation for N-ethyl-6-phenylhexanamide?
The canonical SMILES for N-ethyl-6-phenylhexanamide is CCNC(=O)CCCCCc1ccccc1.
What is the InChIKey of N-ethyl-6-phenylhexanamide?
The InChIKey is BMRWFEPFMJTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-15-14(16)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,15,16).
What are the key properties of N-ethyl-6-phenylhexanamide?
N-ethyl-6-phenylhexanamide has a molecular weight of 219.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phenylhexanamide is sourced from PubChem (CID 70953257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).