methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate

C31H37NO6 — CID 59316182

IUPACmethyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate
SMILESCOC(=O)CCCCCC(OCc1cccc(OC)c1)C(=O)N(Cc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C31H37NO6/c1-35-27-16-10-12-24(20-27)22-32(26-14-6-4-7-15-26)31(34)29(18-8-5-9-19-30(33)37-3)38-23-25-13-11-17-28(21-25)36-2/h4,6-7,10-17,20-21,29H,5,8-9,18-19,22-23H2,1-3H3
InChIKeyRAROXYFTFMCERH-UHFFFAOYSA-N
MW519.64 g/mol
LogP5.95
Rot. Bonds15

About methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate

methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate (PubChem CID 59316182) has the molecular formula C31H37NO6 and a molecular weight of 519.64 g/mol. Its IUPAC name is methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate.

Molecular Properties

Compound Namemethyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate
PubChem CID59316182
Molecular FormulaC31H37NO6
Molecular Weight519.64 g/mol
Exact Mass519.26
IUPAC Namemethyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate
SMILESCOC(=O)CCCCCC(OCc1cccc(OC)c1)C(=O)N(Cc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C31H37NO6/c1-35-27-16-10-12-24(20-27)22-32(26-14-6-4-7-15-26)31(34)29(18-8-5-9-19-30(33)37-3)38-23-25-13-11-17-28(21-25)36-2/h4,6-7,10-17,20-21,29H,5,8-9,18-19,22-23H2,1-3H3
InChIKeyRAROXYFTFMCERH-UHFFFAOYSA-N
XLogP5.95
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate with MolForge

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Related Compounds

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
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
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671
methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
CID 68698621
(3-methoxyphenyl)methyl 6-aminohexanoate
CID 61280031
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
2-[(3-phenoxyphenyl)methoxy]-N-phenyloctanediamide
CID 145473758
2-[(3-methoxyphenyl)methoxy]pentanehydrazide
CID 83047753
N'-benzyl-N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 108985483
2-fluoro-2-[(3-methoxyphenyl)methoxy]acetic acid
CID 79356369
N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate?
The IUPAC name of methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate (CID 59316182) is methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate.
What is the SMILES notation for methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate?
The canonical SMILES for methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate is COC(=O)CCCCCC(OCc1cccc(OC)c1)C(=O)N(Cc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate?
The InChIKey is RAROXYFTFMCERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO6/c1-35-27-16-10-12-24(20-27)22-32(26-14-6-4-7-15-26)31(34)29(18-8-5-9-19-30(33)37-3)38-23-25-13-11-17-28(21-25)36-2/h4,6-7,10-17,20-21,29H,5,8-9,18-19,22-23H2,1-3H3.
What are the key properties of methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate?
methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate has a molecular weight of 519.64 g/mol, XLogP of 5.95, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate is sourced from PubChem (CID 59316182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).