methyl 6-(N-acetylanilino)hexanoate

C15H21NO3 — CID 14219907

IUPACmethyl 6-(N-acetylanilino)hexanoate
SMILESCOC(=O)CCCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-13(17)16(14-9-5-3-6-10-14)12-8-4-7-11-15(18)19-2/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyCEPJXEQCUGJYCK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds7

About methyl 6-(N-acetylanilino)hexanoate

methyl 6-(N-acetylanilino)hexanoate (PubChem CID 14219907) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 6-(N-acetylanilino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(N-acetylanilino)hexanoate
PubChem CID14219907
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 6-(N-acetylanilino)hexanoate
SMILESCOC(=O)CCCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-13(17)16(14-9-5-3-6-10-14)12-8-4-7-11-15(18)19-2/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyCEPJXEQCUGJYCK-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-phenylacetamide
CID 13217997
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
methyl N-(5-oxopentyl)-N-phenylcarbamate
CID 174518980
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 6-[benzoylcarbamoyl(3-phenylpropyl)amino]hexanoate
CID 59687104
methyl 16-(4-carbonochloridoyl-N-(2,2,2-trifluoroacetyl)anilino)hexadecanoate
CID 21163361
dimethyl tricosanedioate
CID 12632762
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of methyl 6-(N-acetylanilino)hexanoate?
The IUPAC name of methyl 6-(N-acetylanilino)hexanoate (CID 14219907) is methyl 6-(N-acetylanilino)hexanoate.
What is the SMILES notation for methyl 6-(N-acetylanilino)hexanoate?
The canonical SMILES for methyl 6-(N-acetylanilino)hexanoate is COC(=O)CCCCCN(C(C)=O)c1ccccc1.
What is the InChIKey of methyl 6-(N-acetylanilino)hexanoate?
The InChIKey is CEPJXEQCUGJYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-13(17)16(14-9-5-3-6-10-14)12-8-4-7-11-15(18)19-2/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3.
What are the key properties of methyl 6-(N-acetylanilino)hexanoate?
methyl 6-(N-acetylanilino)hexanoate has a molecular weight of 263.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(N-acetylanilino)hexanoate is sourced from PubChem (CID 14219907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).