10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one

C15H26N2O2 — CID 129053853

IUPAC10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one
SMILESCCN1CC2(CN(CCC(C)C)C2)OC2(CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-17-11-14(19-15(6-7-15)13(17)18)9-16(10-14)8-5-12(2)3/h12H,4-11H2,1-3H3
InChIKeyVDDXKVXCPGERFU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.50
Rot. Bonds4

About 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one

10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one (PubChem CID 129053853) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one.

Molecular Properties

Compound Name10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one
PubChem CID129053853
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one
SMILESCCN1CC2(CN(CCC(C)C)C2)OC2(CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-17-11-14(19-15(6-7-15)13(17)18)9-16(10-14)8-5-12(2)3/h12H,4-11H2,1-3H3
InChIKeyVDDXKVXCPGERFU-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one?
The IUPAC name of 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one (CID 129053853) is 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one.
What is the SMILES notation for 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one?
The canonical SMILES for 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one is CCN1CC2(CN(CCC(C)C)C2)OC2(CC2)C1=O.
What is the InChIKey of 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one?
The InChIKey is VDDXKVXCPGERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-17-11-14(19-15(6-7-15)13(17)18)9-16(10-14)8-5-12(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one?
10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one has a molecular weight of 266.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-7-(3-methylbutyl)-4-oxa-7,10-diazadispiro[2.1.35.33]undecan-11-one is sourced from PubChem (CID 129053853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).