methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate

C28H44N2O6 — CID 3310554

IUPACmethyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
SMILESCOC(=O)CCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCC(=O)OC)cc1
InChIInChI=1S/C28H44N2O6/c1-35-27(33)17-13-9-5-3-7-11-15-25(31)29-23-19-21-24(22-20-23)30-26(32)16-12-8-4-6-10-14-18-28(34)36-2/h19-22H,3-18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyDGLXJWUTVCTYDO-UHFFFAOYSA-N
MW504.67 g/mol
LogP6.15
Rot. Bonds20

About methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate

methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate (PubChem CID 3310554) has the molecular formula C28H44N2O6 and a molecular weight of 504.67 g/mol. Its IUPAC name is methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate.

Molecular Properties

Compound Namemethyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
PubChem CID3310554
Molecular FormulaC28H44N2O6
Molecular Weight504.67 g/mol
Exact Mass504.32
IUPAC Namemethyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
SMILESCOC(=O)CCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCC(=O)OC)cc1
InChIInChI=1S/C28H44N2O6/c1-35-27(33)17-13-9-5-3-7-11-15-25(31)29-23-19-21-24(22-20-23)30-26(32)16-12-8-4-6-10-14-18-28(34)36-2/h19-22H,3-18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyDGLXJWUTVCTYDO-UHFFFAOYSA-N
XLogP6.15
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate with MolForge

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Related Compounds

methyl 9-oxo-9-[4-(trifluoromethyl)anilino]nonanoate
CID 2741082
methyl 8-(4-ethynylanilino)-8-oxooctanoate
CID 156793808
methyl 8-[4-(cyanomethyl)anilino]-8-oxooctanoate
CID 163595540
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
methyl 8-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]anilino]-8-oxooctanoate
CID 166583715
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
4-O-[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl] 1-O-methyl butanedioate
CID 799819
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate?
The IUPAC name of methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate (CID 3310554) is methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate.
What is the SMILES notation for methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate?
The canonical SMILES for methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate is COC(=O)CCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCC(=O)OC)cc1.
What is the InChIKey of methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate?
The InChIKey is DGLXJWUTVCTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O6/c1-35-27(33)17-13-9-5-3-7-11-15-25(31)29-23-19-21-24(22-20-23)30-26(32)16-12-8-4-6-10-14-18-28(34)36-2/h19-22H,3-18H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate?
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate has a molecular weight of 504.67 g/mol, XLogP of 6.15, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate is sourced from PubChem (CID 3310554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).