N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide

C15H27NO3 — CID 79111756

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO3/c1-5-14(2,3)13(17)16(4)12-6-8-15(9-7-12)18-10-11-19-15/h12H,5-11H2,1-4H3
InChIKeyZSMDVVGADHAPIF-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.57
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide (PubChem CID 79111756) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide
PubChem CID79111756
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO3/c1-5-14(2,3)13(17)16(4)12-6-8-15(9-7-12)18-10-11-19-15/h12H,5-11H2,1-4H3
InChIKeyZSMDVVGADHAPIF-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide (CID 79111756) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide?
The InChIKey is ZSMDVVGADHAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-14(2,3)13(17)16(4)12-6-8-15(9-7-12)18-10-11-19-15/h12H,5-11H2,1-4H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide has a molecular weight of 269.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 79111756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).