2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide

C23H21N3O3 — CID 126371539

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1c(C)c(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C23H21N3O3/c1-3-10-26-16(2)19(18-6-4-5-7-20(18)26)15-24-25-23(27)14-17-8-9-21-22(13-17)29-12-11-28-21/h1,4-9,13,15H,10-12,14H2,2H3,(H,25,27)/b24-15-
InChIKeyZTRHIHLZZYELFI-IWIPYMOSSA-N
MW387.44 g/mol
LogP3.05
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (PubChem CID 126371539) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
PubChem CID126371539
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1c(C)c(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C23H21N3O3/c1-3-10-26-16(2)19(18-6-4-5-7-20(18)26)15-24-25-23(27)14-17-8-9-21-22(13-17)29-12-11-28-21/h1,4-9,13,15H,10-12,14H2,2H3,(H,25,27)/b24-15-
InChIKeyZTRHIHLZZYELFI-IWIPYMOSSA-N
XLogP3.05
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide 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

2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 5427695
N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]furan-2-carboxamide
CID 126373985
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
CID 126371483
2-(4-iodoanilino)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126371307
2-hydroxy-N-[(E)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 21380028
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126371471
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126366917
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)-1H-indol-3-ylmethylideneamino]acetamide
CID 135627906
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126365283
2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (CID 126371539) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide is C#CCn1c(C)c(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The InChIKey is ZTRHIHLZZYELFI-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-3-10-26-16(2)19(18-6-4-5-7-20(18)26)15-24-25-23(27)14-17-8-9-21-22(13-17)29-12-11-28-21/h1,4-9,13,15H,10-12,14H2,2H3,(H,25,27)/b24-15-.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126371539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).