(6-anilino-6-oxohexyl) acetate

C14H19NO3 — CID 154158064

IUPAC(6-anilino-6-oxohexyl) acetate
SMILESCC(=O)OCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO3/c1-12(16)18-11-7-3-6-10-14(17)15-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,17)
InChIKeyOJBKTVNXCACNIT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.75
Rot. Bonds7

About (6-anilino-6-oxohexyl) acetate

(6-anilino-6-oxohexyl) acetate (PubChem CID 154158064) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (6-anilino-6-oxohexyl) acetate.

Molecular Properties

Compound Name(6-anilino-6-oxohexyl) acetate
PubChem CID154158064
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(6-anilino-6-oxohexyl) acetate
SMILESCC(=O)OCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO3/c1-12(16)18-11-7-3-6-10-14(17)15-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,17)
InChIKeyOJBKTVNXCACNIT-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
formamide;N-phenylheptanamide
CID 143464966
bis[(8-anilino-8-oxooctanoyl)amino] hexanedioate
CID 66574923
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
7-bromo-N-phenylheptanamide
CID 11266084
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
4-ethoxy-N-phenylbutanamide
CID 112728021

Frequently Asked Questions

What is the IUPAC name of (6-anilino-6-oxohexyl) acetate?
The IUPAC name of (6-anilino-6-oxohexyl) acetate (CID 154158064) is (6-anilino-6-oxohexyl) acetate.
What is the SMILES notation for (6-anilino-6-oxohexyl) acetate?
The canonical SMILES for (6-anilino-6-oxohexyl) acetate is CC(=O)OCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of (6-anilino-6-oxohexyl) acetate?
The InChIKey is OJBKTVNXCACNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-12(16)18-11-7-3-6-10-14(17)15-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,17).
What are the key properties of (6-anilino-6-oxohexyl) acetate?
(6-anilino-6-oxohexyl) acetate has a molecular weight of 249.31 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-anilino-6-oxohexyl) acetate is sourced from PubChem (CID 154158064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).