methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate

C19H25NO6 — CID 70733252

IUPACmethyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate
SMILESCOC(=O)c1cc(OCC2CCC2)cc(C(=O)NCC2COCCO2)c1
InChIInChI=1S/C19H25NO6/c1-23-19(22)15-7-14(8-16(9-15)26-11-13-3-2-4-13)18(21)20-10-17-12-24-5-6-25-17/h7-9,13,17H,2-6,10-12H2,1H3,(H,20,21)
InChIKeyMNMJEIBTKSIQOR-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.80
Rot. Bonds7

About methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate

methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate (PubChem CID 70733252) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate
PubChem CID70733252
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Namemethyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate
SMILESCOC(=O)c1cc(OCC2CCC2)cc(C(=O)NCC2COCCO2)c1
InChIInChI=1S/C19H25NO6/c1-23-19(22)15-7-14(8-16(9-15)26-11-13-3-2-4-13)18(21)20-10-17-12-24-5-6-25-17/h7-9,13,17H,2-6,10-12H2,1H3,(H,20,21)
InChIKeyMNMJEIBTKSIQOR-UHFFFAOYSA-N
XLogP1.80
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(cyclobutylmethoxy)-5-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]benzoate
CID 70758967
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
CID 164640711
methyl 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5-(cyclobutylmethoxy)benzoate
CID 70784227
methyl 3-(cyclobutylmethoxy)-5-(thiomorpholine-4-carbonyl)benzoate
CID 70757141
4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
CID 25461025
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
CID 165437442
3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
CID 18160278
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
dimethyl 5-(oxolan-2-ylmethylcarbamoylamino)benzene-1,3-dicarboxylate
CID 3788789
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate?
The IUPAC name of methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate (CID 70733252) is methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate is COC(=O)c1cc(OCC2CCC2)cc(C(=O)NCC2COCCO2)c1.
What is the InChIKey of methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate?
The InChIKey is MNMJEIBTKSIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-23-19(22)15-7-14(8-16(9-15)26-11-13-3-2-4-13)18(21)20-10-17-12-24-5-6-25-17/h7-9,13,17H,2-6,10-12H2,1H3,(H,20,21).
What are the key properties of methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate?
methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate has a molecular weight of 363.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate is sourced from PubChem (CID 70733252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).