methyl 9-anilino-8-methoxy-9-oxononanoate

C17H25NO4 — CID 59316213

IUPACmethyl 9-anilino-8-methoxy-9-oxononanoate
SMILESCOC(=O)CCCCCCC(OC)C(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO4/c1-21-15(12-8-3-4-9-13-16(19)22-2)17(20)18-14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H,18,20)
InChIKeyCPDQGHVRVJFVQA-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.15
Rot. Bonds10

About methyl 9-anilino-8-methoxy-9-oxononanoate

methyl 9-anilino-8-methoxy-9-oxononanoate (PubChem CID 59316213) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 9-anilino-8-methoxy-9-oxononanoate.

Molecular Properties

Compound Namemethyl 9-anilino-8-methoxy-9-oxononanoate
PubChem CID59316213
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 9-anilino-8-methoxy-9-oxononanoate
SMILESCOC(=O)CCCCCCC(OC)C(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO4/c1-21-15(12-8-3-4-9-13-16(19)22-2)17(20)18-14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H,18,20)
InChIKeyCPDQGHVRVJFVQA-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 9-anilino-8-methoxy-9-oxononanoate with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
CID 68698621
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
(2S)-2,4-dimethoxy-4-oxobutanoic acid;methyl (3S)-4-anilino-3-methoxy-4-oxobutanoate
CID 157365148
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
2-butoxy-N-phenyldodecanamide
CID 70626065
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 7-amino-7-phenylheptanoate
CID 139616773

Frequently Asked Questions

What is the IUPAC name of methyl 9-anilino-8-methoxy-9-oxononanoate?
The IUPAC name of methyl 9-anilino-8-methoxy-9-oxononanoate (CID 59316213) is methyl 9-anilino-8-methoxy-9-oxononanoate.
What is the SMILES notation for methyl 9-anilino-8-methoxy-9-oxononanoate?
The canonical SMILES for methyl 9-anilino-8-methoxy-9-oxononanoate is COC(=O)CCCCCCC(OC)C(=O)Nc1ccccc1.
What is the InChIKey of methyl 9-anilino-8-methoxy-9-oxononanoate?
The InChIKey is CPDQGHVRVJFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-21-15(12-8-3-4-9-13-16(19)22-2)17(20)18-14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H,18,20).
What are the key properties of methyl 9-anilino-8-methoxy-9-oxononanoate?
methyl 9-anilino-8-methoxy-9-oxononanoate has a molecular weight of 307.39 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-anilino-8-methoxy-9-oxononanoate is sourced from PubChem (CID 59316213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).