methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate

C23H26N2O6 — CID 2835080

IUPACmethyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(=O)OC)cc2)cc1
InChIInChI=1S/C23H26N2O6/c1-30-22(28)13-11-20(26)24-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)25-21(27)12-14-23(29)31-2/h3-10H,11-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLHGLSJWYQRHIIP-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.06
Rot. Bonds10

About methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate

methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate (PubChem CID 2835080) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
PubChem CID2835080
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Namemethyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(=O)OC)cc2)cc1
InChIInChI=1S/C23H26N2O6/c1-30-22(28)13-11-20(26)24-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)25-21(27)12-14-23(29)31-2/h3-10H,11-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLHGLSJWYQRHIIP-UHFFFAOYSA-N
XLogP3.06
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate with MolForge

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Related Compounds

4-O-[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl] 1-O-methyl butanedioate
CID 799819
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
CID 139955588
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
methyl 4-oxo-4-(4-thiocyanatoanilino)butanoate
CID 108797555
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate (CID 2835080) is methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate?
The InChIKey is LHGLSJWYQRHIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-30-22(28)13-11-20(26)24-18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)25-21(27)12-14-23(29)31-2/h3-10H,11-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate?
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate has a molecular weight of 426.47 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate is sourced from PubChem (CID 2835080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).