methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C20H20N2O4 — CID 108980795

IUPACmethyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C20H20N2O4/c1-13-5-3-7-15(11-13)21-18(24)20(9-10-20)19(25)22-16-8-4-6-14(12-16)17(23)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPCVUFVVUNJGUAS-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds5

About methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 108980795) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID108980795
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C20H20N2O4/c1-13-5-3-7-15(11-13)21-18(24)20(9-10-20)19(25)22-16-8-4-6-14(12-16)17(23)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPCVUFVVUNJGUAS-UHFFFAOYSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
methyl 3-[[1-(butylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971120
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980753
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
methyl 4-[[1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982108
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 108980795) is methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C2(C(=O)Nc3cccc(C)c3)CC2)c1.
What is the InChIKey of methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is PCVUFVVUNJGUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-5-3-7-15(11-13)21-18(24)20(9-10-20)19(25)22-16-8-4-6-14(12-16)17(23)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 108980795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).