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

C15H26N2O6 — CID 16955837

IUPACN'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCC1COC2(CCCCC2)O1)OC
InChIInChI=1S/C15H26N2O6/c1-20-12(21-2)9-17-14(19)13(18)16-8-11-10-22-15(23-11)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYVBHWNHZPZBICC-UHFFFAOYSA-N
MW330.38 g/mol
LogP-0.09
Rot. Bonds6

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

N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (PubChem CID 16955837) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
PubChem CID16955837
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC NameN'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCC1COC2(CCCCC2)O1)OC
InChIInChI=1S/C15H26N2O6/c1-20-12(21-2)9-17-14(19)13(18)16-8-11-10-22-15(23-11)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYVBHWNHZPZBICC-UHFFFAOYSA-N
XLogP-0.09
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (CID 16955837) is N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is COC(CNC(=O)C(=O)NCC1COC2(CCCCC2)O1)OC.
What is the InChIKey of N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The InChIKey is YVBHWNHZPZBICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-20-12(21-2)9-17-14(19)13(18)16-8-11-10-22-15(23-11)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide has a molecular weight of 330.38 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is sourced from PubChem (CID 16955837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).