dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate

C19H20N2O7 — CID 1298005

IUPACdimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2cc(OC)ccc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C19H20N2O7/c1-25-14-5-6-16(26-2)15(10-14)21-19(24)20-13-8-11(17(22)27-3)7-12(9-13)18(23)28-4/h5-10H,1-4H3,(H2,20,21,24)
InChIKeyRJQZWKYIISZZOL-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.92
Rot. Bonds6

About dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate

dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate (PubChem CID 1298005) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
PubChem CID1298005
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Namedimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2cc(OC)ccc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C19H20N2O7/c1-25-14-5-6-16(26-2)15(10-14)21-19(24)20-13-8-11(17(22)27-3)7-12(9-13)18(23)28-4/h5-10H,1-4H3,(H2,20,21,24)
InChIKeyRJQZWKYIISZZOL-UHFFFAOYSA-N
XLogP2.92
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 170860315
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea
CID 170896049
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 46790872
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate (CID 1298005) is dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)Nc2cc(OC)ccc2OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
The InChIKey is RJQZWKYIISZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-25-14-5-6-16(26-2)15(10-14)21-19(24)20-13-8-11(17(22)27-3)7-12(9-13)18(23)28-4/h5-10H,1-4H3,(H2,20,21,24).
What are the key properties of dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate has a molecular weight of 388.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1298005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).