N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide

C17H25N3O — CID 102914354

IUPACN-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
SMILESCCCNCc1cccc2ccn(CCC(=O)NCC)c12
InChIInChI=1S/C17H25N3O/c1-3-10-18-13-15-7-5-6-14-8-11-20(17(14)15)12-9-16(21)19-4-2/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,19,21)
InChIKeyDOLJSQUBKNXCBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds8

About N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide

N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide (PubChem CID 102914354) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
PubChem CID102914354
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
SMILESCCCNCc1cccc2ccn(CCC(=O)NCC)c12
InChIInChI=1S/C17H25N3O/c1-3-10-18-13-15-7-5-6-14-8-11-20(17(14)15)12-9-16(21)19-4-2/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,19,21)
InChIKeyDOLJSQUBKNXCBS-UHFFFAOYSA-N
XLogP2.67
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
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-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102914922
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide (CID 102914354) is N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide is CCCNCc1cccc2ccn(CCC(=O)NCC)c12.
What is the InChIKey of N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide?
The InChIKey is DOLJSQUBKNXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-10-18-13-15-7-5-6-14-8-11-20(17(14)15)12-9-16(21)19-4-2/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide?
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide is sourced from PubChem (CID 102914354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).