methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate

C17H21NO6 — CID 2809733

IUPACmethyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C17H21NO6/c1-17(2)8-14(19)18(15(20)9-17)11-7-13(23-4)12(22-3)6-10(11)16(21)24-5/h6-7H,8-9H2,1-5H3
InChIKeyQORRWKQWEZKSRL-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate

methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate (PubChem CID 2809733) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate
PubChem CID2809733
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Namemethyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C17H21NO6/c1-17(2)8-14(19)18(15(20)9-17)11-7-13(23-4)12(22-3)6-10(11)16(21)24-5/h6-7H,8-9H2,1-5H3
InChIKeyQORRWKQWEZKSRL-UHFFFAOYSA-N
XLogP2.17
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate (CID 2809733) is methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate?
The InChIKey is QORRWKQWEZKSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-17(2)8-14(19)18(15(20)9-17)11-7-13(23-4)12(22-3)6-10(11)16(21)24-5/h6-7H,8-9H2,1-5H3.
What are the key properties of methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate?
methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate has a molecular weight of 335.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2809733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).