9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one

C18H26N2O2 — CID 129069994

IUPAC9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
SMILESCC1(C)OC2(CCC(NCc3ccccc3)CC2)CNC1=O
InChIInChI=1S/C18H26N2O2/c1-17(2)16(21)20-13-18(22-17)10-8-15(9-11-18)19-12-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,20,21)
InChIKeyGZBBTDQKQWVQNJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds3

About 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one

9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one (PubChem CID 129069994) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
PubChem CID129069994
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
SMILESCC1(C)OC2(CCC(NCc3ccccc3)CC2)CNC1=O
InChIInChI=1S/C18H26N2O2/c1-17(2)16(21)20-13-18(22-17)10-8-15(9-11-18)19-12-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,20,21)
InChIKeyGZBBTDQKQWVQNJ-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one (CID 129069994) is 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one is CC1(C)OC2(CCC(NCc3ccccc3)CC2)CNC1=O.
What is the InChIKey of 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
The InChIKey is GZBBTDQKQWVQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2)16(21)20-13-18(22-17)10-8-15(9-11-18)19-12-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,20,21).
What are the key properties of 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one is sourced from PubChem (CID 129069994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).