N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide

C14H25NO4 — CID 113414158

IUPACN-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide
SMILESCCC(C)NC(=O)COC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO4/c1-3-11(2)15-13(16)10-17-12-4-6-14(7-5-12)18-8-9-19-14/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyNWHTYRFNHIJFMP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds5

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

N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide (PubChem CID 113414158) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide
PubChem CID113414158
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC NameN-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide
SMILESCCC(C)NC(=O)COC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H25NO4/c1-3-11(2)15-13(16)10-17-12-4-6-14(7-5-12)18-8-9-19-14/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyNWHTYRFNHIJFMP-UHFFFAOYSA-N
XLogP1.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
N-[(2S)-1-aminopropan-2-yl]-2-cyclopentyloxyacetamide;hydrochloride
CID 120508345
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
CID 119349069
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate
CID 114450543
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
N-butan-2-yl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 22552814
pentan-3-yl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10777478
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-yloxyacetamide
CID 82946008
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
CID 113414160

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide (CID 113414158) is N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide is CCC(C)NC(=O)COC1CCC2(CC1)OCCO2.
What is the InChIKey of N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide?
The InChIKey is NWHTYRFNHIJFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-11(2)15-13(16)10-17-12-4-6-14(7-5-12)18-8-9-19-14/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide?
N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide is sourced from PubChem (CID 113414158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).