5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide

C21H31N3O3 — CID 110497779

IUPAC5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NCCCN1CCOCC1)n2CC
InChIInChI=1S/C21H31N3O3/c1-4-24-19-8-7-17(27-5-2)15-18(19)16(3)20(24)21(25)22-9-6-10-23-11-13-26-14-12-23/h7-8,15H,4-6,9-14H2,1-3H3,(H,22,25)
InChIKeyFLVONYYTXBQUJZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.82
Rot. Bonds8

About 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide

5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide (PubChem CID 110497779) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
PubChem CID110497779
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NCCCN1CCOCC1)n2CC
InChIInChI=1S/C21H31N3O3/c1-4-24-19-8-7-17(27-5-2)15-18(19)16(3)20(24)21(25)22-9-6-10-23-11-13-26-14-12-23/h7-8,15H,4-6,9-14H2,1-3H3,(H,22,25)
InChIKeyFLVONYYTXBQUJZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
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
1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 23610595
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830
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-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide (CID 110497779) is 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)NCCCN1CCOCC1)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
The InChIKey is FLVONYYTXBQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-24-19-8-7-17(27-5-2)15-18(19)16(3)20(24)21(25)22-9-6-10-23-11-13-26-14-12-23/h7-8,15H,4-6,9-14H2,1-3H3,(H,22,25).
What are the key properties of 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide is sourced from PubChem (CID 110497779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).