8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H23N3O3 — CID 20622662

IUPAC8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C(\C)c1ccc(C(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1
InChIInChI=1S/C18H23N3O3/c1-3-20-12-18(24-17(20)23)8-10-21(11-9-18)16(22)15-6-4-14(5-7-15)13(2)19/h4-7,19H,3,8-12H2,1-2H3/b19-13+
InChIKeyNXGBUKJNSYQORM-CPNJWEJPSA-N
MW329.40 g/mol
LogP2.52
Rot. Bonds3

About 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 20622662) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID20622662
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C(\C)c1ccc(C(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1
InChIInChI=1S/C18H23N3O3/c1-3-20-12-18(24-17(20)23)8-10-21(11-9-18)16(22)15-6-4-14(5-7-15)13(2)19/h4-7,19H,3,8-12H2,1-2H3/b19-13+
InChIKeyNXGBUKJNSYQORM-CPNJWEJPSA-N
XLogP2.52
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70758115
tert-butyl 2-[8-(4-cyanobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate
CID 20622697
2-[8-[4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 59043083
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(thiophene-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70759723
3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714965
3-[(3-bromophenyl)methyl]-8-(4-propylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11992700
3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720566
3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70761535
3-ethyl-8-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746131
3-hexyl-8-(2-methylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776384

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 20622662) is 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is [H]/N=C(\C)c1ccc(C(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1.
What is the InChIKey of 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NXGBUKJNSYQORM-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20-12-18(24-17(20)23)8-10-21(11-9-18)16(22)15-6-4-14(5-7-15)13(2)19/h4-7,19H,3,8-12H2,1-2H3/b19-13+.
What are the key properties of 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 20622662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).