2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide

C18H26N2O4 — CID 136569315

IUPAC2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
SMILESO=C(CC1CCC2(CCOCC2)CO1)Nc1noc2c1CCCC2
InChIInChI=1S/C18H26N2O4/c21-16(19-17-14-3-1-2-4-15(14)24-20-17)11-13-5-6-18(12-23-13)7-9-22-10-8-18/h13H,1-12H2,(H,19,20,21)
InChIKeyDJUWFUXSWDXFHD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.86
Rot. Bonds3

About 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide

2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide (PubChem CID 136569315) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
PubChem CID136569315
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
SMILESO=C(CC1CCC2(CCOCC2)CO1)Nc1noc2c1CCCC2
InChIInChI=1S/C18H26N2O4/c21-16(19-17-14-3-1-2-4-15(14)24-20-17)11-13-5-6-18(12-23-13)7-9-22-10-8-18/h13H,1-12H2,(H,19,20,21)
InChIKeyDJUWFUXSWDXFHD-UHFFFAOYSA-N
XLogP2.86
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide (CID 136569315) is 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide is O=C(CC1CCC2(CCOCC2)CO1)Nc1noc2c1CCCC2.
What is the InChIKey of 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is DJUWFUXSWDXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-16(19-17-14-3-1-2-4-15(14)24-20-17)11-13-5-6-18(12-23-13)7-9-22-10-8-18/h13H,1-12H2,(H,19,20,21).
What are the key properties of 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 136569315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).