9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one

C18H26N2O2 — CID 129053642

IUPAC9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC(NCc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C18H26N2O2/c1-2-20-14-18(22-13-17(20)21)10-8-16(9-11-18)19-12-15-6-4-3-5-7-15/h3-7,16,19H,2,8-14H2,1H3
InChIKeyFJARARQEGNRNBI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.34
Rot. Bonds4

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

9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one (PubChem CID 129053642) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
PubChem CID129053642
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC(NCc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C18H26N2O2/c1-2-20-14-18(22-13-17(20)21)10-8-16(9-11-18)19-12-15-6-4-3-5-7-15/h3-7,16,19H,2,8-14H2,1H3
InChIKeyFJARARQEGNRNBI-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one (CID 129053642) is 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one is CCN1CC2(CCC(NCc3ccccc3)CC2)OCC1=O.
What is the InChIKey of 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
The InChIKey is FJARARQEGNRNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-20-14-18(22-13-17(20)21)10-8-16(9-11-18)19-12-15-6-4-3-5-7-15/h3-7,16,19H,2,8-14H2,1H3.
What are the key properties of 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one?
9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzylamino)-4-ethyl-1-oxa-4-azaspiro[5.5]undecan-3-one is sourced from PubChem (CID 129053642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).