ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate

C18H25NO5 — CID 165143858

IUPACethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate
SMILESCCOC(=O)c1cccc(OC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H25NO5/c1-5-22-16(20)12-7-6-8-14(9-12)23-15-10-13(11-15)19-17(21)24-18(2,3)4/h6-9,13,15H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyMQRJLUNSXPBKQY-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.30
Rot. Bonds5

About ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate

ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate (PubChem CID 165143858) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate.

Molecular Properties

Compound Nameethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate
PubChem CID165143858
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate
SMILESCCOC(=O)c1cccc(OC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H25NO5/c1-5-22-16(20)12-7-6-8-14(9-12)23-15-10-13(11-15)19-17(21)24-18(2,3)4/h6-9,13,15H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyMQRJLUNSXPBKQY-UHFFFAOYSA-N
XLogP3.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-(3-ethoxycarbonylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 98007063
ethyl 3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]benzoate
CID 156761076
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
ethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-(trifluoromethyl)benzoate
CID 156760935
diethyl benzene-1,3-dicarboxylate
CID 12491
methyl 4-methyl-3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]benzoate
CID 113256316
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
CID 66714636
CID 66714636
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate?
The IUPAC name of ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate (CID 165143858) is ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate.
What is the SMILES notation for ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate?
The canonical SMILES for ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate is CCOC(=O)c1cccc(OC2CC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate?
The InChIKey is MQRJLUNSXPBKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-5-22-16(20)12-7-6-8-14(9-12)23-15-10-13(11-15)19-17(21)24-18(2,3)4/h6-9,13,15H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate?
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate has a molecular weight of 335.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate is sourced from PubChem (CID 165143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).