N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide

C21H22N2O2 — CID 4059459

IUPACN-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide
SMILESCCc1cccc2c(C=O)cn(CC(=O)N(CC)c3ccccc3)c12
InChIInChI=1S/C21H22N2O2/c1-3-16-9-8-12-19-17(15-24)13-22(21(16)19)14-20(25)23(4-2)18-10-6-5-7-11-18/h5-13,15H,3-4,14H2,1-2H3
InChIKeyGJIBUMPVCXNYFX-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.07
Rot. Bonds6

About N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide

N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide (PubChem CID 4059459) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide
PubChem CID4059459
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide
SMILESCCc1cccc2c(C=O)cn(CC(=O)N(CC)c3ccccc3)c12
InChIInChI=1S/C21H22N2O2/c1-3-16-9-8-12-19-17(15-24)13-22(21(16)19)14-20(25)23(4-2)18-10-6-5-7-11-18/h5-13,15H,3-4,14H2,1-2H3
InChIKeyGJIBUMPVCXNYFX-UHFFFAOYSA-N
XLogP4.07
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide 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

methyl 4-[(7-ethyl-3-formylindol-1-yl)methyl]benzoate
CID 4090698
2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2943497
methyl 2-chloro-5-[[2-(7-ethyl-3-formylindol-1-yl)acetyl]amino]benzoate
CID 3510448
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-phenylacetamide
CID 62816852
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-[3-[(Z)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-7-ethylindol-1-yl]-N,N-diethylacetamide
CID 126142192
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
2-[3-[(Z)-[1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-7-ethylindol-1-yl]-N,N-diethylacetamide
CID 126143082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide?
The IUPAC name of N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide (CID 4059459) is N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide is CCc1cccc2c(C=O)cn(CC(=O)N(CC)c3ccccc3)c12.
What is the InChIKey of N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide?
The InChIKey is GJIBUMPVCXNYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-16-9-8-12-19-17(15-24)13-22(21(16)19)14-20(25)23(4-2)18-10-6-5-7-11-18/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide?
N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-ethyl-3-formylindol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 4059459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).