4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide

C20H21N3O2 — CID 135702030

IUPAC4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2c[nH]c3c(CC)cccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-3-14-6-5-7-18-16(12-21-19(14)18)13-22-23-20(24)15-8-10-17(11-9-15)25-4-2/h5-13,21H,3-4H2,1-2H3,(H,23,24)/b22-13+
InChIKeyNTTBJYSSGCXCAE-LPYMAVHISA-N
MW335.41 g/mol
LogP3.89
Rot. Bonds6

About 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide

4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135702030) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135702030
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2c[nH]c3c(CC)cccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-3-14-6-5-7-18-16(12-21-19(14)18)13-22-23-20(24)15-8-10-17(11-9-15)25-4-2/h5-13,21H,3-4H2,1-2H3,(H,23,24)/b22-13+
InChIKeyNTTBJYSSGCXCAE-LPYMAVHISA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]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-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135702182
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2710539
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702130
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
CID 136593729

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135702030) is 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C/c2c[nH]c3c(CC)cccc23)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is NTTBJYSSGCXCAE-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-14-6-5-7-18-16(12-21-19(14)18)13-22-23-20(24)15-8-10-17(11-9-15)25-4-2/h5-13,21H,3-4H2,1-2H3,(H,23,24)/b22-13+.
What are the key properties of 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135702030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).