N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide

C22H26N2O2 — CID 110501681

IUPACN-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(C)c2cc(CC)ccc2n1CC
InChIInChI=1S/C22H26N2O2/c1-5-16-12-13-19-17(14-16)15(4)21(24(19)6-2)22(25)23-18-10-8-9-11-20(18)26-7-3/h8-14H,5-7H2,1-4H3,(H,23,25)
InChIKeyOJNUKUVDIDYGJI-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.18
Rot. Bonds6

About N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide

N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide (PubChem CID 110501681) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
PubChem CID110501681
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(C)c2cc(CC)ccc2n1CC
InChIInChI=1S/C22H26N2O2/c1-5-16-12-13-19-17(14-16)15(4)21(24(19)6-2)22(25)23-18-10-8-9-11-20(18)26-7-3/h8-14H,5-7H2,1-4H3,(H,23,25)
InChIKeyOJNUKUVDIDYGJI-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

5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
CID 110501801
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
CID 110504048
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
ethyl 1-benzyl-4-[(2-ethoxyphenyl)carbamoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 43954555
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
N-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110860180

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide (CID 110501681) is N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide is CCOc1ccccc1NC(=O)c1c(C)c2cc(CC)ccc2n1CC.
What is the InChIKey of N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The InChIKey is OJNUKUVDIDYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-16-12-13-19-17(14-16)15(4)21(24(19)6-2)22(25)23-18-10-8-9-11-20(18)26-7-3/h8-14H,5-7H2,1-4H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
N-(2-ethoxyphenyl)-1,5-diethyl-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 N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).