[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate

C18H21F2NO6 — CID 2485092

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO6/c1-25-14-9-12(7-8-13(14)27-18(19)20)17(24)26-10-15(22)21-16(23)11-5-3-2-4-6-11/h7-9,11,18H,2-6,10H2,1H3,(H,21,22,23)
InChIKeyTYUAWTFXUFLYOV-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.68
Rot. Bonds7

About [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 2485092) has the molecular formula C18H21F2NO6 and a molecular weight of 385.36 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID2485092
Molecular FormulaC18H21F2NO6
Molecular Weight385.36 g/mol
Exact Mass385.13
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO6/c1-25-14-9-12(7-8-13(14)27-18(19)20)17(24)26-10-15(22)21-16(23)11-5-3-2-4-6-11/h7-9,11,18H,2-6,10H2,1H3,(H,21,22,23)
InChIKeyTYUAWTFXUFLYOV-UHFFFAOYSA-N
XLogP2.68
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Benzamidoethyl 3,4,5-trimethoxybenzoate
CID 1940983
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2337903
[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2370532
[2-(Cyclopropylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592182
Methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-3-methoxybenzoate
CID 3646368
(2-Oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate
CID 4033365
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 4984708
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 24685868
2-[(3,4-Difluorophenyl)amino]-2-oxoethyl 3,4-dimethoxybenzoate
CID 2338093
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2346264
2-[(2,4-Difluorophenyl)amino]-2-oxoethyl 3,4-dimethoxybenzoate
CID 2349901

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate (CID 2485092) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)ccc1OC(F)F.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is TYUAWTFXUFLYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO6/c1-25-14-9-12(7-8-13(14)27-18(19)20)17(24)26-10-15(22)21-16(23)11-5-3-2-4-6-11/h7-9,11,18H,2-6,10H2,1H3,(H,21,22,23).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 385.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 2485092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).