4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one

C13H23N3O3 — CID 138390466

IUPAC4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCOC(CCC)C2
InChIInChI=1S/C13H23N3O3/c1-3-4-10-9-13(5-7-19-10)11(14)15-12(17)16(13)6-8-18-2/h10H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyQMCYBKFOZCDQBP-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.35
Rot. Bonds5

About 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one

4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138390466) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138390466
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCOC(CCC)C2
InChIInChI=1S/C13H23N3O3/c1-3-4-10-9-13(5-7-19-10)11(14)15-12(17)16(13)6-8-18-2/h10H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyQMCYBKFOZCDQBP-UHFFFAOYSA-N
XLogP1.35
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389785
4'-imino-1'-(2-methoxyethyl)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2'-one
CID 138390461
4-imino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389710
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
5-ethyl-4-imino-1-(2-methoxyethyl)-5-(methoxymethyl)imidazolidin-2-one
CID 138389794
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
4-imino-1,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388436
4-amino-1-methyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961075
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one (CID 138390466) is 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCOC)C12CCOC(CCC)C2.
What is the InChIKey of 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QMCYBKFOZCDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-4-10-9-13(5-7-19-10)11(14)15-12(17)16(13)6-8-18-2/h10H,3-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 269.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).