(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate

C18H24N2O6 — CID 7812130

IUPAC(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCCC2)c(C(=O)OCC(N)=O)cc1OC
InChIInChI=1S/C18H24N2O6/c1-24-14-8-12(18(23)26-10-16(19)21)13(9-15(14)25-2)20-17(22)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyAICUXFJSVOVMRU-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.86
Rot. Bonds7

About (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate

(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate (PubChem CID 7812130) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
PubChem CID7812130
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCCC2)c(C(=O)OCC(N)=O)cc1OC
InChIInChI=1S/C18H24N2O6/c1-24-14-8-12(18(23)26-10-16(19)21)13(9-15(14)25-2)20-17(22)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyAICUXFJSVOVMRU-UHFFFAOYSA-N
XLogP1.86
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 42980762
[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812116
[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812138
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 46658344
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
[2-(azocan-1-yl)-2-oxoethyl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55401573
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 42982196
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2623709
N-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]cyclohexanecarboxamide
CID 25465826
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate (CID 7812130) is (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCC(N)=O)cc1OC.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is AICUXFJSVOVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-24-14-8-12(18(23)26-10-16(19)21)13(9-15(14)25-2)20-17(22)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 364.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 7812130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).