N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide

C16H26N2O5 — CID 18583859

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H26N2O5/c19-14(17-9-12-5-4-8-21-12)15(20)18-10-13-11-22-16(23-13)6-2-1-3-7-16/h12-13H,1-11H2,(H,17,19)(H,18,20)
InChIKeyIXXHKXVXQLEUDU-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.47
Rot. Bonds4

About N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 18583859) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID18583859
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H26N2O5/c19-14(17-9-12-5-4-8-21-12)15(20)18-10-13-11-22-16(23-13)6-2-1-3-7-16/h12-13H,1-11H2,(H,17,19)(H,18,20)
InChIKeyIXXHKXVXQLEUDU-UHFFFAOYSA-N
XLogP0.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide (CID 18583859) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is IXXHKXVXQLEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c19-14(17-9-12-5-4-8-21-12)15(20)18-10-13-11-22-16(23-13)6-2-1-3-7-16/h12-13H,1-11H2,(H,17,19)(H,18,20).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 326.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 18583859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).