2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide

C12H21NO2 — CID 66579177

IUPAC2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide
SMILESCC(C)C(=O)NC1CCOC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-9(2)11(14)13-10-4-7-15-12(8-10)5-3-6-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNJFZUXJSBZARFB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide

2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide (PubChem CID 66579177) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide
PubChem CID66579177
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide
SMILESCC(C)C(=O)NC1CCOC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-9(2)11(14)13-10-4-7-15-12(8-10)5-3-6-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNJFZUXJSBZARFB-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-{8-amino-5-oxaspiro[3.5]nonan-2-yl}carbamate
CID 165768782
N-(2,2-dimethyloxan-4-yl)acetamide
CID 89959667
N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide
CID 82786538
N-(2,2-diethyloxan-4-yl)-2,2-difluoroacetamide
CID 103515965
N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 103868600
N-(2,2-diethyloxan-4-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108095447
CID 57880741
CID 57880741
N-[(3S,4R,5R)-1-[(5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 58962261
N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 59422787
N-(2,2-dimethyloxan-4-yl)-2-methylpropanamide
CID 66579161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide (CID 66579177) is 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide is CC(C)C(=O)NC1CCOC2(CCC2)C1.
What is the InChIKey of 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide?
The InChIKey is NJFZUXJSBZARFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11(14)13-10-4-7-15-12(8-10)5-3-6-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide?
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide has a molecular weight of 211.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide is sourced from PubChem (CID 66579177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).