dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate

C22H22N2O6 — CID 55667093

IUPACdimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)cc(C(=O)OC)c1
InChIInChI=1S/C22H22N2O6/c1-12-7-18(12)20(26)23-16-6-4-5-13(9-16)19(25)24-17-10-14(21(27)29-2)8-15(11-17)22(28)30-3/h4-6,8-12,18H,7H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVSGYSRSJNAHRAH-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.11
Rot. Bonds6

About dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 55667093) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
PubChem CID55667093
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Namedimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)cc(C(=O)OC)c1
InChIInChI=1S/C22H22N2O6/c1-12-7-18(12)20(26)23-16-6-4-5-13(9-16)19(25)24-17-10-14(21(27)29-2)8-15(11-17)22(28)30-3/h4-6,8-12,18H,7H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVSGYSRSJNAHRAH-UHFFFAOYSA-N
XLogP3.11
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46438663
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate (CID 55667093) is dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is VSGYSRSJNAHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-12-7-18(12)20(26)23-16-6-4-5-13(9-16)19(25)24-17-10-14(21(27)29-2)8-15(11-17)22(28)30-3/h4-6,8-12,18H,7H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 410.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 55667093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).