6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide

C22H23N3O2 — CID 52670551

IUPAC6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCCCn3ccc4ccccc43)[nH]c2c1
InChIInChI=1S/C22H23N3O2/c1-2-27-18-9-8-17-14-20(24-19(17)15-18)22(26)23-11-5-12-25-13-10-16-6-3-4-7-21(16)25/h3-4,6-10,13-15,24H,2,5,11-12H2,1H3,(H,23,26)
InChIKeyMAZFBSCTEINQSE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.34
Rot. Bonds7

About 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide

6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide (PubChem CID 52670551) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide
PubChem CID52670551
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCCCn3ccc4ccccc43)[nH]c2c1
InChIInChI=1S/C22H23N3O2/c1-2-27-18-9-8-17-14-20(24-19(17)15-18)22(26)23-11-5-12-25-13-10-16-6-3-4-7-21(16)25/h3-4,6-10,13-15,24H,2,5,11-12H2,1H3,(H,23,26)
InChIKeyMAZFBSCTEINQSE-UHFFFAOYSA-N
XLogP4.34
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-6-ethoxy-1H-indole-2-carboxamide
CID 86938809
N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55853367
4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42910684
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide (CID 52670551) is 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)NCCCn3ccc4ccccc43)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide?
The InChIKey is MAZFBSCTEINQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-27-18-9-8-17-14-20(24-19(17)15-18)22(26)23-11-5-12-25-13-10-16-6-3-4-7-21(16)25/h3-4,6-10,13-15,24H,2,5,11-12H2,1H3,(H,23,26).
What are the key properties of 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide?
6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 52670551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).