N-(1-oxaspiro[5.5]undecan-4-yl)acetamide

C12H21NO2 — CID 51358556

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H21NO2/c1-10(14)13-11-5-8-15-12(9-11)6-3-2-4-7-12/h11H,2-9H2,1H3,(H,13,14)
InChIKeyVGOOETSVGWKUSR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds1

About N-(1-oxaspiro[5.5]undecan-4-yl)acetamide

N-(1-oxaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 51358556) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)acetamide
PubChem CID51358556
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H21NO2/c1-10(14)13-11-5-8-15-12(9-11)6-3-2-4-7-12/h11H,2-9H2,1H3,(H,13,14)
InChIKeyVGOOETSVGWKUSR-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029398
3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71847295

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)acetamide (CID 51358556) is N-(1-oxaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)acetamide is CC(=O)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is VGOOETSVGWKUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(14)13-11-5-8-15-12(9-11)6-3-2-4-7-12/h11H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)acetamide?
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 211.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 51358556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).