3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide

C20H20N4O2 — CID 967738

IUPAC3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
SMILESCCn1cc(C=NNC(=O)c2cccc(NC(C)=O)c2)c2ccccc21
InChIInChI=1S/C20H20N4O2/c1-3-24-13-16(18-9-4-5-10-19(18)24)12-21-23-20(26)15-7-6-8-17(11-15)22-14(2)25/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDTQVXNVVJAGLOF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.38
Rot. Bonds5

About 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide

3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide (PubChem CID 967738) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
PubChem CID967738
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
SMILESCCn1cc(C=NNC(=O)c2cccc(NC(C)=O)c2)c2ccccc21
InChIInChI=1S/C20H20N4O2/c1-3-24-13-16(18-9-4-5-10-19(18)24)12-21-23-20(26)15-7-6-8-17(11-15)22-14(2)25/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDTQVXNVVJAGLOF-UHFFFAOYSA-N
XLogP3.38
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.38
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'}

Analyze 3-acetamido-N-[(1-ethylindol-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

[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
4-acetamido-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 4535477
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3429939
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781507
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 126364382
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863813
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide (CID 967738) is 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide is CCn1cc(C=NNC(=O)c2cccc(NC(C)=O)c2)c2ccccc21.
What is the InChIKey of 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide?
The InChIKey is DTQVXNVVJAGLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-24-13-16(18-9-4-5-10-19(18)24)12-21-23-20(26)15-7-6-8-17(11-15)22-14(2)25/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide?
3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 967738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).