5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione

C17H17N3O3 — CID 135606447

IUPAC5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O
InChIInChI=1S/C17H17N3O3/c1-3-17(2)15(22)20(16(23)19-17)18-10-13-12-7-5-4-6-11(12)8-9-14(13)21/h4-10,21H,3H2,1-2H3,(H,19,23)/b18-10+
InChIKeyJLWHGCXLCMAKID-VCHYOVAHSA-N
MW311.34 g/mol
LogP2.60
Rot. Bonds3

About 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione

5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 135606447) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID135606447
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O
InChIInChI=1S/C17H17N3O3/c1-3-17(2)15(22)20(16(23)19-17)18-10-13-12-7-5-4-6-11(12)8-9-14(13)21/h4-10,21H,3H2,1-2H3,(H,19,23)/b18-10+
InChIKeyJLWHGCXLCMAKID-VCHYOVAHSA-N
XLogP2.60
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135412032
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
N'-((2-hydroxy-1-naphthyl)methylene)-2-(trimethyl-5-azanyl)acetohydrazide
CID 414828
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-[(2-oxo-1-naphthalenylidene)methyl]acetohydrazide
CID 687658
[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 135422188
Ahd-HN
CID 135788210
3-[[2-(Difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 23350840
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135938378
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 822688
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]propanohydrazide
CID 135454335
[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 135488965

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 135606447) is 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(/N=C/c2c(O)ccc3ccccc23)C1=O.
What is the InChIKey of 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is JLWHGCXLCMAKID-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-17(2)15(22)20(16(23)19-17)18-10-13-12-7-5-4-6-11(12)8-9-14(13)21/h4-10,21H,3H2,1-2H3,(H,19,23)/b18-10+.
What are the key properties of 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135606447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).