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

C13H24N2O3 — CID 51077599

IUPACN-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-3-11(2)14-12(16)10-15-6-4-13(5-7-15)17-8-9-18-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyHTBSRMKBTJSYFF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds4

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

N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 51077599) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID51077599
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-3-11(2)14-12(16)10-15-6-4-13(5-7-15)17-8-9-18-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyHTBSRMKBTJSYFF-UHFFFAOYSA-N
XLogP0.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide
CID 113414158
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-butan-2-yl-2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 111487266
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
N-butan-2-yl-2-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]acetamide
CID 134045485
N-(4-hydroxybutan-2-yl)-2-morpholin-4-ylacetamide
CID 110011691
N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 124729725
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 51077599) is N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is CCC(C)NC(=O)CN1CCC2(CC1)OCCO2.
What is the InChIKey of N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is HTBSRMKBTJSYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11(2)14-12(16)10-15-6-4-13(5-7-15)17-8-9-18-13/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.74, 4 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-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 51077599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).