N-hexyl-N-phenylacetamide

C14H21NO — CID 13217997

IUPACN-hexyl-N-phenylacetamide
SMILESCCCCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-4-5-9-12-15(13(2)16)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyISELDOUSAYHWRZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.62
Rot. Bonds6

About N-hexyl-N-phenylacetamide

N-hexyl-N-phenylacetamide (PubChem CID 13217997) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-hexyl-N-phenylacetamide.

Molecular Properties

Compound NameN-hexyl-N-phenylacetamide
PubChem CID13217997
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-hexyl-N-phenylacetamide
SMILESCCCCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-4-5-9-12-15(13(2)16)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyISELDOUSAYHWRZ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octyl(phenyl)carbamic acid
CID 54301990
methyl 6-(N-acetylanilino)hexanoate
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2-methylidene-N-octyl-N-phenylundecanamide
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tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
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2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(N-octanoylanilino)propanoic acid
CID 60831115

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-phenylacetamide?
The IUPAC name of N-hexyl-N-phenylacetamide (CID 13217997) is N-hexyl-N-phenylacetamide.
What is the SMILES notation for N-hexyl-N-phenylacetamide?
The canonical SMILES for N-hexyl-N-phenylacetamide is CCCCCCN(C(C)=O)c1ccccc1.
What is the InChIKey of N-hexyl-N-phenylacetamide?
The InChIKey is ISELDOUSAYHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-5-9-12-15(13(2)16)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of N-hexyl-N-phenylacetamide?
N-hexyl-N-phenylacetamide has a molecular weight of 219.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-phenylacetamide is sourced from PubChem (CID 13217997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).