4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one

C19H36N2O2 — CID 126804088

IUPAC4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
SMILESCCCN(CCC)CCCC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H36N2O2/c1-3-11-20(12-4-2)13-5-6-18(22)21-14-7-19(8-15-21)9-16-23-17-10-19/h3-17H2,1-2H3
InChIKeyUSRVFZPBKAZHOS-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.31
Rot. Bonds8

About 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one

4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one (PubChem CID 126804088) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one.

Molecular Properties

Compound Name4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
PubChem CID126804088
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
SMILESCCCN(CCC)CCCC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H36N2O2/c1-3-11-20(12-4-2)13-5-6-18(22)21-14-7-19(8-15-21)9-16-23-17-10-19/h3-17H2,1-2H3
InChIKeyUSRVFZPBKAZHOS-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one?
The IUPAC name of 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one (CID 126804088) is 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one.
What is the SMILES notation for 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one?
The canonical SMILES for 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one is CCCN(CCC)CCCC(=O)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one?
The InChIKey is USRVFZPBKAZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-3-11-20(12-4-2)13-5-6-18(22)21-14-7-19(8-15-21)9-16-23-17-10-19/h3-17H2,1-2H3.
What are the key properties of 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one?
4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one has a molecular weight of 324.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one is sourced from PubChem (CID 126804088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).