ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate

C18H22N2O5 — CID 109133425

IUPACethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O5/c1-2-25-18(23)12-3-5-13(6-4-12)19-16(21)14-11-15(14)17(22)20-7-9-24-10-8-20/h3-6,14-15H,2,7-11H2,1H3,(H,19,21)
InChIKeyWGQMLZQNFPXHKX-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.30
Rot. Bonds5

About ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate

ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109133425) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109133425
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O5/c1-2-25-18(23)12-3-5-13(6-4-12)19-16(21)14-11-15(14)17(22)20-7-9-24-10-8-20/h3-6,14-15H,2,7-11H2,1H3,(H,19,21)
InChIKeyWGQMLZQNFPXHKX-UHFFFAOYSA-N
XLogP1.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
ethyl 4-[[4-(morpholine-4-carbonyl)piperidine-1-carbothioyl]amino]benzoate
CID 5296823
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109138800
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109132150
ethyl 4-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131183
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 100724027

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109133425) is ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is WGQMLZQNFPXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-25-18(23)12-3-5-13(6-4-12)19-16(21)14-11-15(14)17(22)20-7-9-24-10-8-20/h3-6,14-15H,2,7-11H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 346.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109133425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).