2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide

C25H30N2O5 — CID 3242236

IUPAC2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C25H30N2O5/c1-17(2)18-3-6-20(7-4-18)26-24(28)23(19-5-8-21-22(15-19)30-16-29-21)27-11-9-25(10-12-27)31-13-14-32-25/h3-8,15,17,23H,9-14,16H2,1-2H3,(H,26,28)
InChIKeyMTEWSUYMFNHMOF-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.06
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 3242236) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID3242236
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C25H30N2O5/c1-17(2)18-3-6-20(7-4-18)26-24(28)23(19-5-8-21-22(15-19)30-16-29-21)27-11-9-25(10-12-27)31-13-14-32-25/h3-8,15,17,23H,9-14,16H2,1-2H3,(H,26,28)
InChIKeyMTEWSUYMFNHMOF-UHFFFAOYSA-N
XLogP4.06
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 3242236) is 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MTEWSUYMFNHMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-17(2)18-3-6-20(7-4-18)26-24(28)23(19-5-8-21-22(15-19)30-16-29-21)27-11-9-25(10-12-27)31-13-14-32-25/h3-8,15,17,23H,9-14,16H2,1-2H3,(H,26,28).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 438.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3242236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).