ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate

C20H19NO5 — CID 113198969

IUPACethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C20H19NO5/c1-2-24-18(22)13-3-6-15(7-4-13)21-19(23)20(9-10-20)14-5-8-16-17(11-14)26-12-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)
InChIKeyCRYXDUBOBHNMOG-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.26
Rot. Bonds5

About ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate

ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 113198969) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
PubChem CID113198969
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C20H19NO5/c1-2-24-18(22)13-3-6-15(7-4-13)21-19(23)20(9-10-20)14-5-8-16-17(11-14)26-12-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)
InChIKeyCRYXDUBOBHNMOG-UHFFFAOYSA-N
XLogP3.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198757
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
ethyl 4-[3-(1,3-benzodioxol-5-ylamino)propanoylamino]benzoate
CID 109042295
ethyl 4-[[2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786665
ethyl 4-[[2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786666
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-ethylbenzamide
CID 59206879
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate (CID 113198969) is ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is CRYXDUBOBHNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-24-18(22)13-3-6-15(7-4-13)21-19(23)20(9-10-20)14-5-8-16-17(11-14)26-12-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate?
ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 353.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 113198969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).