3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one

C28H52N2O4 — CID 18716442

IUPAC3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCOCC(C)CN1C(=O)C2(CC(C)(C)N(OC)C(C)(C)C2)OC12CCCCCCCCCCC2
InChIInChI=1S/C28H52N2O4/c1-23(20-32-6)19-29-24(31)27(21-25(2,3)30(33-7)26(4,5)22-27)34-28(29)17-15-13-11-9-8-10-12-14-16-18-28/h23H,8-22H2,1-7H3
InChIKeyFYQSYFXPYLYUBU-UHFFFAOYSA-N
MW480.73 g/mol
LogP6.08
Rot. Bonds5

About 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one

3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (PubChem CID 18716442) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.

Molecular Properties

Compound Name3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
PubChem CID18716442
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Name3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCOCC(C)CN1C(=O)C2(CC(C)(C)N(OC)C(C)(C)C2)OC12CCCCCCCCCCC2
InChIInChI=1S/C28H52N2O4/c1-23(20-32-6)19-29-24(31)27(21-25(2,3)30(33-7)26(4,5)22-27)34-28(29)17-15-13-11-9-8-10-12-14-16-18-28/h23H,8-22H2,1-7H3
InChIKeyFYQSYFXPYLYUBU-UHFFFAOYSA-N
XLogP6.08
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one 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 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The IUPAC name of 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (CID 18716442) is 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.
What is the SMILES notation for 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The canonical SMILES for 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is COCC(C)CN1C(=O)C2(CC(C)(C)N(OC)C(C)(C)C2)OC12CCCCCCCCCCC2.
What is the InChIKey of 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The InChIKey is FYQSYFXPYLYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-23(20-32-6)19-29-24(31)27(21-25(2,3)30(33-7)26(4,5)22-27)34-28(29)17-15-13-11-9-8-10-12-14-16-18-28/h23H,8-22H2,1-7H3.
What are the key properties of 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one has a molecular weight of 480.73 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-20-(3-methoxy-2-methylpropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is sourced from PubChem (CID 18716442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).