4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide

C17H22N2O4 — CID 156551077

IUPAC4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C17H22N2O4/c1-17(2,3)10-5-6-11(13(9-10)23-4)15(21)18-12-7-8-14(20)19-16(12)22/h5-6,9,12H,7-8H2,1-4H3,(H,18,21)(H,19,20,22)
InChIKeyTVFHFIUDGMQUEG-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.53
Rot. Bonds3

About 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide

4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide (PubChem CID 156551077) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
PubChem CID156551077
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C17H22N2O4/c1-17(2,3)10-5-6-11(13(9-10)23-4)15(21)18-12-7-8-14(20)19-16(12)22/h5-6,9,12H,7-8H2,1-4H3,(H,18,21)(H,19,20,22)
InChIKeyTVFHFIUDGMQUEG-UHFFFAOYSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide?
The IUPAC name of 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide (CID 156551077) is 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide?
The canonical SMILES for 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide is COc1cc(C(C)(C)C)ccc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide?
The InChIKey is TVFHFIUDGMQUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2,3)10-5-6-11(13(9-10)23-4)15(21)18-12-7-8-14(20)19-16(12)22/h5-6,9,12H,7-8H2,1-4H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide?
4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide has a molecular weight of 318.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 156551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).