9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H30N2O2 — CID 135332689

IUPAC9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCC(C)C)CC2)OCC1=O
InChIInChI=1S/C16H30N2O2/c1-4-8-18-13-16(20-12-15(18)19)6-10-17(11-7-16)9-5-14(2)3/h14H,4-13H2,1-3H3
InChIKeyULHRTWARBNHJTH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.14
Rot. Bonds5

About 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332689) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332689
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCC(C)C)CC2)OCC1=O
InChIInChI=1S/C16H30N2O2/c1-4-8-18-13-16(20-12-15(18)19)6-10-17(11-7-16)9-5-14(2)3/h14H,4-13H2,1-3H3
InChIKeyULHRTWARBNHJTH-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332689) is 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCN1CC2(CCN(CCC(C)C)CC2)OCC1=O.
What is the InChIKey of 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ULHRTWARBNHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-8-18-13-16(20-12-15(18)19)6-10-17(11-7-16)9-5-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 282.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).