methyl 8-anilino-8-oxooctanoate

C15H21NO3 — CID 11265520

IUPACmethyl 8-anilino-8-oxooctanoate
SMILESCOC(=O)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21NO3/c1-19-15(18)12-8-3-2-7-11-14(17)16-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,16,17)
InChIKeyUKIMVQKYXFBPCC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds8

About methyl 8-anilino-8-oxooctanoate

methyl 8-anilino-8-oxooctanoate (PubChem CID 11265520) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 8-anilino-8-oxooctanoate.

Molecular Properties

Compound Namemethyl 8-anilino-8-oxooctanoate
PubChem CID11265520
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 8-anilino-8-oxooctanoate
SMILESCOC(=O)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21NO3/c1-19-15(18)12-8-3-2-7-11-14(17)16-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,16,17)
InChIKeyUKIMVQKYXFBPCC-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 8-anilino-8-oxooctanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-anilino-8-oxooctanoate?
The IUPAC name of methyl 8-anilino-8-oxooctanoate (CID 11265520) is methyl 8-anilino-8-oxooctanoate.
What is the SMILES notation for methyl 8-anilino-8-oxooctanoate?
The canonical SMILES for methyl 8-anilino-8-oxooctanoate is COC(=O)CCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of methyl 8-anilino-8-oxooctanoate?
The InChIKey is UKIMVQKYXFBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-15(18)12-8-3-2-7-11-14(17)16-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,16,17).
What are the key properties of methyl 8-anilino-8-oxooctanoate?
methyl 8-anilino-8-oxooctanoate has a molecular weight of 263.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-anilino-8-oxooctanoate is sourced from PubChem (CID 11265520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).