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

C12H22N2O2 — CID 79895294

IUPACN-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
SMILESCNC(=O)C(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-9(11(15)13-2)14-10-4-7-16-12(8-10)5-3-6-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyVIBSIWHNZBYKOK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds3

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

N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide (PubChem CID 79895294) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
PubChem CID79895294
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
SMILESCNC(=O)C(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-9(11(15)13-2)14-10-4-7-16-12(8-10)5-3-6-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyVIBSIWHNZBYKOK-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79894932
N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide
CID 115731804
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
CID 130727521
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 103923548
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide?
The IUPAC name of N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide (CID 79895294) is N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide.
What is the SMILES notation for N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide?
The canonical SMILES for N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide is CNC(=O)C(C)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide?
The InChIKey is VIBSIWHNZBYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(11(15)13-2)14-10-4-7-16-12(8-10)5-3-6-12/h9-10,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide?
N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide is sourced from PubChem (CID 79895294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).