5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide

C22H26N2O2 — CID 110502331

IUPAC5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(CC)cc1)n2CC
InChIInChI=1S/C22H26N2O2/c1-5-16-8-10-17(11-9-16)23-22(25)21-15(4)19-14-18(26-7-3)12-13-20(19)24(21)6-2/h8-14H,5-7H2,1-4H3,(H,23,25)
InChIKeyANDADTCXKFRSGM-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.18
Rot. Bonds6

About 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide

5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide (PubChem CID 110502331) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
PubChem CID110502331
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(CC)cc1)n2CC
InChIInChI=1S/C22H26N2O2/c1-5-16-8-10-17(11-9-16)23-22(25)21-15(4)19-14-18(26-7-3)12-13-20(19)24(21)6-2/h8-14H,5-7H2,1-4H3,(H,23,25)
InChIKeyANDADTCXKFRSGM-UHFFFAOYSA-N
XLogP5.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502258
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
ethyl 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 110504013
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
dimethyl 5-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110503972
5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 110503977
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497828

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide (CID 110502331) is 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(CC)cc1)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide?
The InChIKey is ANDADTCXKFRSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-16-8-10-17(11-9-16)23-22(25)21-15(4)19-14-18(26-7-3)12-13-20(19)24(21)6-2/h8-14H,5-7H2,1-4H3,(H,23,25).
What are the key properties of 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide?
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110502331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).