4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide

C18H24N4O3 — CID 20686988

IUPAC4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CC(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1
InChIInChI=1S/C18H24N4O3/c1-2-21-12-18(25-17(21)24)7-9-22(10-8-18)15(23)11-13-3-5-14(6-4-13)16(19)20/h3-6H,2,7-12H2,1H3,(H3,19,20)
InChIKeyGXGYFPBXHSSIJK-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.35
Rot. Bonds4

About 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide

4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide (PubChem CID 20686988) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide
PubChem CID20686988
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CC(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1
InChIInChI=1S/C18H24N4O3/c1-2-21-12-18(25-17(21)24)7-9-22(10-8-18)15(23)11-13-3-5-14(6-4-13)16(19)20/h3-6H,2,7-12H2,1H3,(H3,19,20)
InChIKeyGXGYFPBXHSSIJK-UHFFFAOYSA-N
XLogP1.35
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide?
The IUPAC name of 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide (CID 20686988) is 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide?
The canonical SMILES for 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CC(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1.
What is the InChIKey of 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide?
The InChIKey is GXGYFPBXHSSIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-21-12-18(25-17(21)24)7-9-22(10-8-18)15(23)11-13-3-5-14(6-4-13)16(19)20/h3-6H,2,7-12H2,1H3,(H3,19,20).
What are the key properties of 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide?
4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide has a molecular weight of 344.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]benzenecarboximidamide is sourced from PubChem (CID 20686988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).