12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C17H30N2O2 — CID 135332692

IUPAC12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(CCC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-19-13-16(21-17(6-7-17)15(19)20)8-11-18(12-9-16)10-5-14(2)3/h14H,4-13H2,1-3H3
InChIKeyAAYSEONBLVIJPM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.28
Rot. Bonds4

About 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135332692) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID135332692
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(CCC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-19-13-16(21-17(6-7-17)15(19)20)8-11-18(12-9-16)10-5-14(2)3/h14H,4-13H2,1-3H3
InChIKeyAAYSEONBLVIJPM-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10421750, Example 40
CID 129073796
US10927128, Example 49
CID 135332689
US10927128, Example 10
CID 135332699
US10927128, Example 60
CID 135332708
US10927128, Example 2
CID 135332709
US10927128, Example 59
CID 135332721
US10927128, Example 3
CID 135332743
US10927128, Example 44
CID 135332744
US10927128, Example 15
CID 135332751
US10927128, Example 56
CID 135332756
US10927128, Example 53
CID 135332757
US10927128, Example 58
CID 135332786

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 135332692) is 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCN(CCC(C)C)CC2)OC2(CC2)C1=O.
What is the InChIKey of 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is AAYSEONBLVIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-19-13-16(21-17(6-7-17)15(19)20)8-11-18(12-9-16)10-5-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 294.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-(3-methylbutyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135332692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).