ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate

C23H26N2O3 — CID 174455151

IUPACethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate
SMILESCCCCN(C=O)c1ccc2c(ccn2Cc2ccccc2C(=O)OCC)c1
InChIInChI=1S/C23H26N2O3/c1-3-5-13-25(17-26)20-10-11-22-18(15-20)12-14-24(22)16-19-8-6-7-9-21(19)23(27)28-4-2/h6-12,14-15,17H,3-5,13,16H2,1-2H3
InChIKeyGHLXERGQCYAMNL-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.63
Rot. Bonds9

About ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate

ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate (PubChem CID 174455151) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate
PubChem CID174455151
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Nameethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate
SMILESCCCCN(C=O)c1ccc2c(ccn2Cc2ccccc2C(=O)OCC)c1
InChIInChI=1S/C23H26N2O3/c1-3-5-13-25(17-26)20-10-11-22-18(15-20)12-14-24(22)16-19-8-6-7-9-21(19)23(27)28-4-2/h6-12,14-15,17H,3-5,13,16H2,1-2H3
InChIKeyGHLXERGQCYAMNL-UHFFFAOYSA-N
XLogP4.63
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate 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 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate
CID 142044532
ethyl 2-[[5-(2-ethoxy-2-oxoethoxy)indol-1-yl]methyl]benzoate
CID 139943062
ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate
CID 142044527
methyl 2-[[5-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)indol-1-yl]methyl]benzoate
CID 139617878
[1-[(2-ethoxycarbonylphenyl)methyl]pyrrol-2-yl]methyl-trimethylazanium
CID 15723705
2-[(6-methylindol-1-yl)methyl]benzamide
CID 116546878
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
ethyl 4-[(5-propan-2-ylindol-1-yl)methyl]benzoate
CID 110831059
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
ethyl 2-amino-5-(dibutylamino)benzoate
CID 63425143
1-[(2-methylphenyl)methyl]indole-5-carbothioamide
CID 107920515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate?
The IUPAC name of ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate (CID 174455151) is ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate.
What is the SMILES notation for ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate?
The canonical SMILES for ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate is CCCCN(C=O)c1ccc2c(ccn2Cc2ccccc2C(=O)OCC)c1.
What is the InChIKey of ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate?
The InChIKey is GHLXERGQCYAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-5-13-25(17-26)20-10-11-22-18(15-20)12-14-24(22)16-19-8-6-7-9-21(19)23(27)28-4-2/h6-12,14-15,17H,3-5,13,16H2,1-2H3.
What are the key properties of ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate?
ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate has a molecular weight of 378.47 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[butyl(formyl)amino]indol-1-yl]methyl]benzoate is sourced from PubChem (CID 174455151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).