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

C20H30N2O3 — CID 110497818

IUPAC5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NCCCOC(C)C)n2CC
InChIInChI=1S/C20H30N2O3/c1-6-22-18-10-9-16(24-7-2)13-17(18)15(5)19(22)20(23)21-11-8-12-25-14(3)4/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,21,23)
InChIKeyJMMYBJRFAUKTSG-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.91
Rot. Bonds9

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

5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide (PubChem CID 110497818) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
PubChem CID110497818
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NCCCOC(C)C)n2CC
InChIInChI=1S/C20H30N2O3/c1-6-22-18-10-9-16(24-7-2)13-17(18)15(5)19(22)20(23)21-11-8-12-25-14(3)4/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,21,23)
InChIKeyJMMYBJRFAUKTSG-UHFFFAOYSA-N
XLogP3.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
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
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497828
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
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
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502258
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
CID 110504048

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide (CID 110497818) is 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)NCCCOC(C)C)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide?
The InChIKey is JMMYBJRFAUKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-6-22-18-10-9-16(24-7-2)13-17(18)15(5)19(22)20(23)21-11-8-12-25-14(3)4/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,21,23).
What are the key properties of 5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide?
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.91, 9 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-(3-propan-2-yloxypropyl)indole-2-carboxamide is sourced from PubChem (CID 110497818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).