dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate

C25H23NO7 — CID 17296753

IUPACdimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1C(=O)OC
InChIInChI=1S/C25H23NO7/c1-30-18-8-4-16(5-9-18)14-23(27)26-17-6-10-19(11-7-17)33-20-12-13-21(24(28)31-2)22(15-20)25(29)32-3/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyVOTKLOPMRZLPDY-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.24
Rot. Bonds8

About dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate

dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate (PubChem CID 17296753) has the molecular formula C25H23NO7 and a molecular weight of 449.46 g/mol. Its IUPAC name is dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
PubChem CID17296753
Molecular FormulaC25H23NO7
Molecular Weight449.46 g/mol
Exact Mass449.15
IUPAC Namedimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1C(=O)OC
InChIInChI=1S/C25H23NO7/c1-30-18-8-4-16(5-9-18)14-23(27)26-17-6-10-19(11-7-17)33-20-12-13-21(24(28)31-2)22(15-20)25(29)32-3/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyVOTKLOPMRZLPDY-UHFFFAOYSA-N
XLogP4.24
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407595
dimethyl 4-[4-(2-methylpropanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321663
dimethyl 4-[4-[[(2R)-2-methylbutanoyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 9323664
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422
dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321640
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate (CID 17296753) is dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate is COC(=O)c1ccc(Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate?
The InChIKey is VOTKLOPMRZLPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7/c1-30-18-8-4-16(5-9-18)14-23(27)26-17-6-10-19(11-7-17)33-20-12-13-21(24(28)31-2)22(15-20)25(29)32-3/h4-13,15H,14H2,1-3H3,(H,26,27).
What are the key properties of dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate?
dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate has a molecular weight of 449.46 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 17296753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).