ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate

C18H22N2O5 — CID 108973205

IUPACethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H22N2O5/c1-2-25-15(21)13-5-3-4-6-14(13)19-16(22)18(7-8-18)17(23)20-9-11-24-12-10-20/h3-6H,2,7-12H2,1H3,(H,19,22)
InChIKeyHMCDJUQORKPEOH-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.44
Rot. Bonds5

About ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate

ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 108973205) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID108973205
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H22N2O5/c1-2-25-15(21)13-5-3-4-6-14(13)19-16(22)18(7-8-18)17(23)20-9-11-24-12-10-20/h3-6H,2,7-12H2,1H3,(H,19,22)
InChIKeyHMCDJUQORKPEOH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108972080
ethyl 2-[[1-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983850
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
ethyl 2-[[1-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983851
ethyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976392
ethyl 2-[[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108977072
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109082942
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-(piperidine-1-carbothioylamino)benzoate
CID 12005435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 108973205) is ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1(C(=O)N2CCOCC2)CC1.
What is the InChIKey of ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is HMCDJUQORKPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-25-15(21)13-5-3-4-6-14(13)19-16(22)18(7-8-18)17(23)20-9-11-24-12-10-20/h3-6H,2,7-12H2,1H3,(H,19,22).
What are the key properties of ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 346.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 108973205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).