8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C19H34N2O2 — CID 135332699

IUPAC8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCC(C)CCN1CCC2(CC1)CN(CC(C)C)C(=O)C1(CC1)O2
InChIInChI=1S/C19H34N2O2/c1-15(2)5-10-20-11-8-18(9-12-20)14-21(13-16(3)4)17(22)19(23-18)6-7-19/h15-16H,5-14H2,1-4H3
InChIKeyIQYPRDAPZDMCLD-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.91
Rot. Bonds5

About 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135332699) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID135332699
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCC(C)CCN1CCC2(CC1)CN(CC(C)C)C(=O)C1(CC1)O2
InChIInChI=1S/C19H34N2O2/c1-15(2)5-10-20-11-8-18(9-12-20)14-21(13-16(3)4)17(22)19(23-18)6-7-19/h15-16H,5-14H2,1-4H3
InChIKeyIQYPRDAPZDMCLD-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one with MolForge

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Related Compounds

US10689398, Example 4
CID 129053805
US10421750, Example 40
CID 129073796
US10927128, Example 49
CID 135332689
US10927128, Example 1
CID 135332692
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

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 135332699) is 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CC(C)CCN1CCC2(CC1)CN(CC(C)C)C(=O)C1(CC1)O2.
What is the InChIKey of 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is IQYPRDAPZDMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15(2)5-10-20-11-8-18(9-12-20)14-21(13-16(3)4)17(22)19(23-18)6-7-19/h15-16H,5-14H2,1-4H3.
What are the key properties of 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 322.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutyl)-12-(2-methylpropyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135332699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).