5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide

C21H24N2O2 — CID 110499074

IUPAC5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N(C)c1ccccc1)n2CC
InChIInChI=1S/C21H24N2O2/c1-5-23-19-13-12-17(25-6-2)14-18(19)15(3)20(23)21(24)22(4)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3
InChIKeyDOFJUUQGCLULBN-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.64
Rot. Bonds5

About 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide

5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide (PubChem CID 110499074) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
PubChem CID110499074
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N(C)c1ccccc1)n2CC
InChIInChI=1S/C21H24N2O2/c1-5-23-19-13-12-17(25-6-2)14-18(19)15(3)20(23)21(24)22(4)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3
InChIKeyDOFJUUQGCLULBN-UHFFFAOYSA-N
XLogP4.64
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[benzyl-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]acetate
CID 110499098
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
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
5-ethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969413
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825
(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
CID 110499054
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide (CID 110499074) is 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)N(C)c1ccccc1)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide?
The InChIKey is DOFJUUQGCLULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-23-19-13-12-17(25-6-2)14-18(19)15(3)20(23)21(24)22(4)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3.
What are the key properties of 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide?
5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide is sourced from PubChem (CID 110499074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).