2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

C19H17N3O3 — CID 135627906

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-19(10-13-5-6-17-18(9-13)25-8-7-24-17)22-21-12-14-11-20-16-4-2-1-3-15(14)16/h1-6,9,11-12,20H,7-8,10H2,(H,22,23)/b21-12+
InChIKeyOAUBCLOEHZEUPP-CIAFOILYSA-N
MW335.36 g/mol
LogP2.63
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (PubChem CID 135627906) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
PubChem CID135627906
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-19(10-13-5-6-17-18(9-13)25-8-7-24-17)22-21-12-14-11-20-16-4-2-1-3-15(14)16/h1-6,9,11-12,20H,7-8,10H2,(H,22,23)/b21-12+
InChIKeyOAUBCLOEHZEUPP-CIAFOILYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-1H-indol-3-ylmethylideneamino]acetamide
CID 135589177
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126367952
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 137180706
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 137180746
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
(3S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136750115
3-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368944
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 135852319

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (CID 135627906) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The InChIKey is OAUBCLOEHZEUPP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(10-13-5-6-17-18(9-13)25-8-7-24-17)22-21-12-14-11-20-16-4-2-1-3-15(14)16/h1-6,9,11-12,20H,7-8,10H2,(H,22,23)/b21-12+.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 135627906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).