dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate

C20H20N2O6 — CID 17309543

IUPACdimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1
InChIInChI=1S/C20H20N2O6/c1-4-17(23)21-14-7-5-6-12(10-14)18(24)22-16-11-13(19(25)27-2)8-9-15(16)20(26)28-3/h5-11H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJSZRECQWVUSPIE-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.86
Rot. Bonds6

About dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate (PubChem CID 17309543) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
PubChem CID17309543
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namedimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1
InChIInChI=1S/C20H20N2O6/c1-4-17(23)21-14-7-5-6-12(10-14)18(24)22-16-11-13(19(25)27-2)8-9-15(16)20(26)28-3/h5-11H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJSZRECQWVUSPIE-UHFFFAOYSA-N
XLogP2.86
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
methyl 3-[[3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate
CID 17188675
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
methyl 2-[[3-(3-phenylpropanoylamino)benzoyl]amino]benzoate
CID 17172094
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
CID 17341399
2-oxopropyl 3-(propanoylamino)benzoate
CID 954186
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
dimethyl 2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309062
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide
CID 55872367

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate (CID 17309543) is dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate is CCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1.
What is the InChIKey of dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is JSZRECQWVUSPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-4-17(23)21-14-7-5-6-12(10-14)18(24)22-16-11-13(19(25)27-2)8-9-15(16)20(26)28-3/h5-11H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 384.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 17309543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).