3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21N3O4 — CID 2643541

IUPAC3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCOc1cccc(C=NN2C(=O)NC3(CCCCC3)C2=O)c1O
InChIInChI=1S/C17H21N3O4/c1-2-24-13-8-6-7-12(14(13)21)11-18-20-15(22)17(19-16(20)23)9-4-3-5-10-17/h6-8,11,21H,2-5,9-10H2,1H3,(H,19,23)
InChIKeyJKXYJLUCWVSNAS-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.38
Rot. Bonds4

About 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643541) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643541
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCOc1cccc(C=NN2C(=O)NC3(CCCCC3)C2=O)c1O
InChIInChI=1S/C17H21N3O4/c1-2-24-13-8-6-7-12(14(13)21)11-18-20-15(22)17(19-16(20)23)9-4-3-5-10-17/h6-8,11,21H,2-5,9-10H2,1H3,(H,19,23)
InChIKeyJKXYJLUCWVSNAS-UHFFFAOYSA-N
XLogP2.38
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852536
3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643505
2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 136666054
2-ethoxy-6-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852425
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3561014
4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]benzoate
CID 2643535
3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643518
3-cyclohexyl-4-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 136736787
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
3-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3679250
4-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 136873876

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643541) is 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is CCOc1cccc(C=NN2C(=O)NC3(CCCCC3)C2=O)c1O.
What is the InChIKey of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JKXYJLUCWVSNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-24-13-8-6-7-12(14(13)21)11-18-20-15(22)17(19-16(20)23)9-4-3-5-10-17/h6-8,11,21H,2-5,9-10H2,1H3,(H,19,23).
What are the key properties of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 331.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).