methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

C17H22N2O4 — CID 109139360

IUPACmethyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCN(CC)C(=O)C1CC1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C17H22N2O4/c1-4-19(5-2)16(21)14-10-13(14)15(20)18-12-8-6-7-11(9-12)17(22)23-3/h6-9,13-14H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyPKTMNUHZYXBGJU-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.92
Rot. Bonds6

About methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109139360) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109139360
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCN(CC)C(=O)C1CC1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C17H22N2O4/c1-4-19(5-2)16(21)14-10-13(14)15(20)18-12-8-6-7-11(9-12)17(22)23-3/h6-9,13-14H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyPKTMNUHZYXBGJU-UHFFFAOYSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139358
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139379
2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 19133673
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916676
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (CID 109139360) is methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is CCN(CC)C(=O)C1CC1C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is PKTMNUHZYXBGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-19(5-2)16(21)14-10-13(14)15(20)18-12-8-6-7-11(9-12)17(22)23-3/h6-9,13-14H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 318.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109139360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).