N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide

C27H22N6O3 — CID 135704652

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C27H22N6O3/c34-26(32-30-15-19-13-28-24-7-3-1-5-22(19)24)17-36-21-11-9-18(10-12-21)27(35)33-31-16-20-14-29-25-8-4-2-6-23(20)25/h1-16,28-29H,17H2,(H,32,34)(H,33,35)/b30-15+,31-16+
InChIKeyJSBWVEJQUDPPAV-KUGLDEIXSA-N
MW478.51 g/mol
LogP3.94
Rot. Bonds8

About N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide

N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide (PubChem CID 135704652) has the molecular formula C27H22N6O3 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
PubChem CID135704652
Molecular FormulaC27H22N6O3
Molecular Weight478.51 g/mol
Exact Mass478.18
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C27H22N6O3/c34-26(32-30-15-19-13-28-24-7-3-1-5-22(19)24)17-36-21-11-9-18(10-12-21)27(35)33-31-16-20-14-29-25-8-4-2-6-23(20)25/h1-16,28-29H,17H2,(H,32,34)(H,33,35)/b30-15+,31-16+
InChIKeyJSBWVEJQUDPPAV-KUGLDEIXSA-N
XLogP3.94
TPSA123.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.94
H-Bond Donors ≤ 54
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'}

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide 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

4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 136806694
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-[2-hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135719350
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide (CID 135704652) is N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide is O=C(COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide?
The InChIKey is JSBWVEJQUDPPAV-KUGLDEIXSA-N. The full InChI is InChI=1S/C27H22N6O3/c34-26(32-30-15-19-13-28-24-7-3-1-5-22(19)24)17-36-21-11-9-18(10-12-21)27(35)33-31-16-20-14-29-25-8-4-2-6-23(20)25/h1-16,28-29H,17H2,(H,32,34)(H,33,35)/b30-15+,31-16+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide has a molecular weight of 478.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 135704652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).