methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate

C23H29NO5 — CID 68698621

IUPACmethyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
SMILESCOC(=O)CCCCC[C@H](OCc1ccc(OC)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H29NO5/c1-27-20-15-13-18(14-16-20)17-29-21(11-7-4-8-12-22(25)28-2)23(26)24-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyRNFUZEBPZQPFHS-NRFANRHFSA-N
MW399.49 g/mol
LogP4.34
Rot. Bonds12

About methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate

methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate (PubChem CID 68698621) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate.

Molecular Properties

Compound Namemethyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
PubChem CID68698621
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namemethyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
SMILESCOC(=O)CCCCC[C@H](OCc1ccc(OC)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H29NO5/c1-27-20-15-13-18(14-16-20)17-29-21(11-7-4-8-12-22(25)28-2)23(26)24-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyRNFUZEBPZQPFHS-NRFANRHFSA-N
XLogP4.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-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

Related Compounds

N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylnonanediamide
CID 25066354
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
CID 25065926
methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213
methyl 8-anilino-7-hydroxy-8-oxooctanoate;methyl 8-anilino-7-[(3-methoxyphenyl)methoxy]-8-oxooctanoate;methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate
CID 158766534
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312
2-[(3-phenoxyphenyl)methoxy]-N-phenyloctanediamide
CID 145473758
2-butoxy-N-phenyldodecanamide
CID 70626065
2-[(3,5-dimethoxyphenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide;N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-[(4-methoxyphenyl)methyl]-N-phenyloctanediamide;N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-phenyloctanediamide;N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide;N'-hydroxy-2-[(3-phenoxyphenyl)methoxy]-N-phenyloctanediamide
CID 158147056
methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate
CID 59316182
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
CID 153255398
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate?
The IUPAC name of methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate (CID 68698621) is methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate.
What is the SMILES notation for methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate?
The canonical SMILES for methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate is COC(=O)CCCCC[C@H](OCc1ccc(OC)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate?
The InChIKey is RNFUZEBPZQPFHS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29NO5/c1-27-20-15-13-18(14-16-20)17-29-21(11-7-4-8-12-22(25)28-2)23(26)24-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate?
methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate has a molecular weight of 399.49 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate is sourced from PubChem (CID 68698621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).