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

C19H25N3O3 — CID 20622660

IUPAC8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C(\C)c1ccc(CC(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1
InChIInChI=1S/C19H25N3O3/c1-3-21-13-19(25-18(21)24)8-10-22(11-9-19)17(23)12-15-4-6-16(7-5-15)14(2)20/h4-7,20H,3,8-13H2,1-2H3/b20-14+
InChIKeyKMAOQCALSYKEQM-XSFVSMFZSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds4

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

8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 20622660) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID20622660
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C(\C)c1ccc(CC(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1
InChIInChI=1S/C19H25N3O3/c1-3-21-13-19(25-18(21)24)8-10-22(11-9-19)17(23)12-15-4-6-16(7-5-15)14(2)20/h4-7,20H,3,8-13H2,1-2H3/b20-14+
InChIKeyKMAOQCALSYKEQM-XSFVSMFZSA-N
XLogP2.45
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.45
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

7-[(4-Isopropylphenyl)acetyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56902621
3-Methyl-8-(3-methyl-2-phenylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70719728
(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728876
Tert-butyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 139434820
8-[(3-Fluorophenyl)acetyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70775730
8-[2-(3-fluorophenyl)acetyl]-3-[(2R)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96405350
8-[2-(3-fluorophenyl)acetyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96405351
8-[2-(3-Fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166328326
7-[3-(4-Ethylphenyl)propanoyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56915695
8-(4-Ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
9-[2-(4-Ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 20622676
Tert-butyl 2-[8-(4-ethanimidoylbenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate
CID 20622698

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 20622660) is 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is [H]/N=C(\C)c1ccc(CC(=O)N2CCC3(CC2)CN(CC)C(=O)O3)cc1.
What is the InChIKey of 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KMAOQCALSYKEQM-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-21-13-19(25-18(21)24)8-10-22(11-9-19)17(23)12-15-4-6-16(7-5-15)14(2)20/h4-7,20H,3,8-13H2,1-2H3/b20-14+.
What are the key properties of 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-ethanimidoylphenyl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 20622660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).