1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone

C18H26N2O2 — CID 97396262

IUPAC1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone
SMILESCCN1CCOCC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C18H26N2O2/c1-2-20-12-13-22-15-18(20)8-10-19(11-9-18)17(21)14-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3
InChIKeyKILHZZNVWXJYIJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.94
Rot. Bonds3

About 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone

1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone (PubChem CID 97396262) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone
PubChem CID97396262
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone
SMILESCCN1CCOCC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C18H26N2O2/c1-2-20-12-13-22-15-18(20)8-10-19(11-9-18)17(21)14-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3
InChIKeyKILHZZNVWXJYIJ-UHFFFAOYSA-N
XLogP1.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The IUPAC name of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone (CID 97396262) is 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The canonical SMILES for 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone is CCN1CCOCC12CCN(C(=O)Cc1ccccc1)CC2.
What is the InChIKey of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone?
The InChIKey is KILHZZNVWXJYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-20-12-13-22-15-18(20)8-10-19(11-9-18)17(21)14-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3.
What are the key properties of 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone?
1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone has a molecular weight of 302.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-phenylethanone is sourced from PubChem (CID 97396262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).