ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

C17H22N2O4 — CID 109130606

IUPACethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCCNC(=O)C1CC1C(=O)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C17H22N2O4/c1-3-9-18-15(20)12-10-13(12)16(21)19-14-8-6-5-7-11(14)17(22)23-4-2/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXLGMDSJZTISJAC-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.96
Rot. Bonds7

About ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109130606) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109130606
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCCNC(=O)C1CC1C(=O)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C17H22N2O4/c1-3-9-18-15(20)12-10-13(12)16(21)19-14-8-6-5-7-11(14)17(22)23-4-2/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXLGMDSJZTISJAC-UHFFFAOYSA-N
XLogP1.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813
ethyl 2-[[2-(azepane-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140775
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
ethyl 2-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]benzoate
CID 108957160
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
ethyl 2-(propylamino)benzoate
CID 15662762
methyl 2-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (CID 109130606) is ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is CCCNC(=O)C1CC1C(=O)Nc1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is XLGMDSJZTISJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-9-18-15(20)12-10-13(12)16(21)19-14-8-6-5-7-11(14)17(22)23-4-2/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 318.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109130606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).