4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide

C22H26N2O7 — CID 155358236

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
SMILESCc1cc(OC2CCC3(CC2)OCCO3)ccc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C22H26N2O7/c1-14-12-16(31-15-6-8-22(9-7-15)29-10-11-30-22)2-3-17(14)21(28)24(13-25)18-4-5-19(26)23-20(18)27/h2-3,12-13,15,18H,4-11H2,1H3,(H,23,26,27)
InChIKeyDYHFJHRVGYVVLY-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.46
Rot. Bonds5

About 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide

4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide (PubChem CID 155358236) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
PubChem CID155358236
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
SMILESCc1cc(OC2CCC3(CC2)OCCO3)ccc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C22H26N2O7/c1-14-12-16(31-15-6-8-22(9-7-15)29-10-11-30-22)2-3-17(14)21(28)24(13-25)18-4-5-19(26)23-20(18)27/h2-3,12-13,15,18H,4-11H2,1H3,(H,23,26,27)
InChIKeyDYHFJHRVGYVVLY-UHFFFAOYSA-N
XLogP1.46
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide (CID 155358236) is 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide is Cc1cc(OC2CCC3(CC2)OCCO3)ccc1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The InChIKey is DYHFJHRVGYVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-14-12-16(31-15-6-8-22(9-7-15)29-10-11-30-22)2-3-17(14)21(28)24(13-25)18-4-5-19(26)23-20(18)27/h2-3,12-13,15,18H,4-11H2,1H3,(H,23,26,27).
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide has a molecular weight of 430.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide is sourced from PubChem (CID 155358236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).