2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide

C12H21NO2 — CID 168787978

IUPAC2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCC1CC12CCOC2
InChIInChI=1S/C12H21NO2/c1-11(2,3)10(14)13-7-9-6-12(9)4-5-15-8-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyFQUVLAJBZPAFKJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.58
Rot. Bonds2

About 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide

2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide (PubChem CID 168787978) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide
PubChem CID168787978
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCC1CC12CCOC2
InChIInChI=1S/C12H21NO2/c1-11(2,3)10(14)13-7-9-6-12(9)4-5-15-8-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyFQUVLAJBZPAFKJ-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide (CID 168787978) is 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide is CC(C)(C)C(=O)NCC1CC12CCOC2.
What is the InChIKey of 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide?
The InChIKey is FQUVLAJBZPAFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,3)10(14)13-7-9-6-12(9)4-5-15-8-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide?
2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide has a molecular weight of 211.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propanamide is sourced from PubChem (CID 168787978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).