5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C17H18N2O5 — CID 168537032

IUPAC5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(=O)N1CCc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc21
InChIInChI=1S/C17H18N2O5/c1-10(20)19-7-6-11-4-5-12(8-14(11)19)18-9-13-15(21)23-17(2,3)24-16(13)22/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyHFNZYRZXBLZHBK-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.73
Rot. Bonds2

About 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 168537032) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID168537032
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(=O)N1CCc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc21
InChIInChI=1S/C17H18N2O5/c1-10(20)19-7-6-11-4-5-12(8-14(11)19)18-9-13-15(21)23-17(2,3)24-16(13)22/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyHFNZYRZXBLZHBK-UHFFFAOYSA-N
XLogP1.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540187
5-[[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537627
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
CID 17189887
5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-hydroxybenzoic acid
CID 168511855
2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one
CID 66887314
N-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxyphenyl]acetamide
CID 168537431
5-[[4-(4-hydroxybenzoyl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538877
5-[[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 6273003
N-(1-acetyl-2,3-dihydroindol-6-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 110627246
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
CID 110627257

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 168537032) is 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC(=O)N1CCc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc21.
What is the InChIKey of 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is HFNZYRZXBLZHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-10(20)19-7-6-11-4-5-12(8-14(11)19)18-9-13-15(21)23-17(2,3)24-16(13)22/h4-5,8-9,18H,6-7H2,1-3H3.
What are the key properties of 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 330.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168537032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).