[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate

C20H25NO7 — CID 7812138

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCCC2)c(C(=O)O[C@@H]2CCOC2=O)cc1OC
InChIInChI=1S/C20H25NO7/c1-25-16-10-13(19(23)28-15-8-9-27-20(15)24)14(11-17(16)26-2)21-18(22)12-6-4-3-5-7-12/h10-12,15H,3-9H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyRAEIJEIKLZECOS-OAHLLOKOSA-N
MW391.42 g/mol
LogP2.69
Rot. Bonds6

About [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate

[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate (PubChem CID 7812138) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
PubChem CID7812138
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCCC2)c(C(=O)O[C@@H]2CCOC2=O)cc1OC
InChIInChI=1S/C20H25NO7/c1-25-16-10-13(19(23)28-15-8-9-27-20(15)24)14(11-17(16)26-2)21-18(22)12-6-4-3-5-7-12/h10-12,15H,3-9H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyRAEIJEIKLZECOS-OAHLLOKOSA-N
XLogP2.69
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812130
[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812116
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 42980762
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
CID 52555320
[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
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-[4,5-dimethoxy-2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 42907623
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 46658344
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 16578000
methyl 2-[(1,1-dioxothiolane-3-carbonyl)amino]-4,5-dimethoxybenzoate
CID 16566473

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate (CID 7812138) is [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C2CCCCC2)c(C(=O)O[C@@H]2CCOC2=O)cc1OC.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is RAEIJEIKLZECOS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25NO7/c1-25-16-10-13(19(23)28-15-8-9-27-20(15)24)14(11-17(16)26-2)21-18(22)12-6-4-3-5-7-12/h10-12,15H,3-9H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 391.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 7812138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).