N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide

C14H25NO3 — CID 112729599

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO3/c1-13(2,3)10-12(16)15-11-4-6-14(7-5-11)17-8-9-18-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeySUAVIVVWYPRCIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide (PubChem CID 112729599) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
PubChem CID112729599
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO3/c1-13(2,3)10-12(16)15-11-4-6-14(7-5-11)17-8-9-18-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeySUAVIVVWYPRCIW-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide 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)-3,3-dimethylbutanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide (CID 112729599) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide?
The InChIKey is SUAVIVVWYPRCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)10-12(16)15-11-4-6-14(7-5-11)17-8-9-18-14/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide has a molecular weight of 255.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 112729599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).