4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide

C14H25NO4 — CID 113414160

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO4/c1-15(2)13(16)4-3-9-17-12-5-7-14(8-6-12)18-10-11-19-14/h12H,3-11H2,1-2H3
InChIKeyFJZXKSZJFHILJO-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.56
Rot. Bonds5

About 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide

4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide (PubChem CID 113414160) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
PubChem CID113414160
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO4/c1-15(2)13(16)4-3-9-17-12-5-7-14(8-6-12)18-10-11-19-14/h12H,3-11H2,1-2H3
InChIKeyFJZXKSZJFHILJO-UHFFFAOYSA-N
XLogP1.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide (CID 113414160) is 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide is CN(C)C(=O)CCCOC1CCC2(CC1)OCCO2.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide?
The InChIKey is FJZXKSZJFHILJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-15(2)13(16)4-3-9-17-12-5-7-14(8-6-12)18-10-11-19-14/h12H,3-11H2,1-2H3.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide?
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide has a molecular weight of 271.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide is sourced from PubChem (CID 113414160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).