[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate

C22H33NO5 — CID 58982479

IUPAC[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
SMILESCC(=O)OCC1COC2(CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)O1
InChIInChI=1S/C22H33NO5/c1-16(18-10-8-7-9-11-18)28-23-20(3,4)14-22(15-21(23,5)6)26-13-19(27-22)12-25-17(2)24/h7-11,16,19H,12-15H2,1-6H3
InChIKeyNJGOCOPKYGGPOO-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.01
Rot. Bonds5

About [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate

[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate (PubChem CID 58982479) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate.

Molecular Properties

Compound Name[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
PubChem CID58982479
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC Name[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
SMILESCC(=O)OCC1COC2(CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)O1
InChIInChI=1S/C22H33NO5/c1-16(18-10-8-7-9-11-18)28-23-20(3,4)14-22(15-21(23,5)6)26-13-19(27-22)12-25-17(2)24/h7-11,16,19H,12-15H2,1-6H3
InChIKeyNJGOCOPKYGGPOO-UHFFFAOYSA-N
XLogP4.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
The IUPAC name of [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate (CID 58982479) is [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate.
What is the SMILES notation for [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
The canonical SMILES for [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate is CC(=O)OCC1COC2(CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)O1.
What is the InChIKey of [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
The InChIKey is NJGOCOPKYGGPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-16(18-10-8-7-9-11-18)28-23-20(3,4)14-22(15-21(23,5)6)26-13-19(27-22)12-25-17(2)24/h7-11,16,19H,12-15H2,1-6H3.
What are the key properties of [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate has a molecular weight of 391.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate is sourced from PubChem (CID 58982479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).