5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide

C26H26N2O3 — CID 110502299

IUPAC5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1Oc1ccccc1)n2CC
InChIInChI=1S/C26H26N2O3/c1-4-28-23-16-15-20(30-5-2)17-21(23)18(3)25(28)26(29)27-22-13-9-10-14-24(22)31-19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,27,29)
InChIKeyXOKGANHMHNKYLM-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.41
Rot. Bonds7

About 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide

5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide (PubChem CID 110502299) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
PubChem CID110502299
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1Oc1ccccc1)n2CC
InChIInChI=1S/C26H26N2O3/c1-4-28-23-16-15-20(30-5-2)17-21(23)18(3)25(28)26(29)27-22-13-9-10-14-24(22)31-19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,27,29)
InChIKeyXOKGANHMHNKYLM-UHFFFAOYSA-N
XLogP6.41
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
CID 110504048
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
CID 110499074
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502258
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825
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-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide (CID 110502299) is 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1Oc1ccccc1)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide?
The InChIKey is XOKGANHMHNKYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-4-28-23-16-15-20(30-5-2)17-21(23)18(3)25(28)26(29)27-22-13-9-10-14-24(22)31-19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,27,29).
What are the key properties of 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide?
5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide is sourced from PubChem (CID 110502299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).