13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

C18H32N2O2 — CID 129053805

IUPAC13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1CC2(CCCN(CCC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C18H32N2O2/c1-4-20-14-17(22-18(8-9-18)16(20)21)7-5-11-19(13-10-17)12-6-15(2)3/h15H,4-14H2,1-3H3
InChIKeyZPSGTLQPMDZCCC-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.67
Rot. Bonds4

About 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (PubChem CID 129053805) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.

Molecular Properties

Compound Name13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
PubChem CID129053805
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1CC2(CCCN(CCC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C18H32N2O2/c1-4-20-14-17(22-18(8-9-18)16(20)21)7-5-11-19(13-10-17)12-6-15(2)3/h15H,4-14H2,1-3H3
InChIKeyZPSGTLQPMDZCCC-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-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 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The IUPAC name of 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (CID 129053805) is 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.
What is the SMILES notation for 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The canonical SMILES for 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is CCN1CC2(CCCN(CCC(C)C)CC2)OC2(CC2)C1=O.
What is the InChIKey of 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The InChIKey is ZPSGTLQPMDZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-20-14-17(22-18(8-9-18)16(20)21)7-5-11-19(13-10-17)12-6-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one has a molecular weight of 308.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is sourced from PubChem (CID 129053805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).