ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

C18H24N2O4 — CID 109131782

IUPACethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)NC(C)CC
InChIInChI=1S/C18H24N2O4/c1-4-11(3)19-16(21)13-10-14(13)17(22)20-15-9-7-6-8-12(15)18(23)24-5-2/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBNCUOHDJGAFQSK-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109131782) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109131782
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)NC(C)CC
InChIInChI=1S/C18H24N2O4/c1-4-11(3)19-16(21)13-10-14(13)17(22)20-15-9-7-6-8-12(15)18(23)24-5-2/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBNCUOHDJGAFQSK-UHFFFAOYSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109130606
ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974
ethyl 2-[[2-(azepane-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140775
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-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131692
ethyl 2-(propanoylamino)benzoate
CID 4190428
1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131780
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (CID 109131782) is ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)NC(C)CC.
What is the InChIKey of ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is BNCUOHDJGAFQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-11(3)19-16(21)13-10-14(13)17(22)20-15-9-7-6-8-12(15)18(23)24-5-2/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109131782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).