2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide

C12H22N2O3 — CID 102897726

IUPAC2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
SMILESNC(=O)CONCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H22N2O3/c13-11(15)9-16-14-8-10-4-7-12(17-10)5-2-1-3-6-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyDGHZJBPCQBOWEN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds5

About 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide

2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide (PubChem CID 102897726) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide.

Molecular Properties

Compound Name2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
PubChem CID102897726
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
SMILESNC(=O)CONCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H22N2O3/c13-11(15)9-16-14-8-10-4-7-12(17-10)5-2-1-3-6-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyDGHZJBPCQBOWEN-UHFFFAOYSA-N
XLogP0.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
CID 167832821
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
2-(cyclohexylmethylamino)oxyacetamide
CID 112672783
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide?
The IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide (CID 102897726) is 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide.
What is the SMILES notation for 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide?
The canonical SMILES for 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide is NC(=O)CONCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide?
The InChIKey is DGHZJBPCQBOWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-11(15)9-16-14-8-10-4-7-12(17-10)5-2-1-3-6-12/h10,14H,1-9H2,(H2,13,15).
What are the key properties of 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide?
2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide has a molecular weight of 242.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide is sourced from PubChem (CID 102897726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).