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

C14H25NO3 — CID 78918296

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO3/c1-4-13(2,3)12(16)15-11-5-7-14(8-6-11)17-9-10-18-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyOJBMQIVXFLNHCA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide (PubChem CID 78918296) 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)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
PubChem CID78918296
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO3/c1-4-13(2,3)12(16)15-11-5-7-14(8-6-11)17-9-10-18-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyOJBMQIVXFLNHCA-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
CID 164651542
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
N-cyclopentyl-2,2-dimethylbutanamide
CID 4627793
N-(4-aminocyclohexyl)-2,2-dimethylbutanamide
CID 62678396
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide
CID 79111756
N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103460691
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide
CID 94547727
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide
CID 61211074
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropan-2-ol
CID 63239594
2,2-dimethyl-N-[1-(oxetan-3-yl)piperidin-4-yl]butanamide
CID 155022127

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide (CID 78918296) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide?
The InChIKey is OJBMQIVXFLNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-13(2,3)12(16)15-11-5-7-14(8-6-11)17-9-10-18-14/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide has a molecular weight of 255.36 g/mol, XLogP of 2.22, 3 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)-2,2-dimethylbutanamide is sourced from PubChem (CID 78918296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).