3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide

C16H23N3O — CID 107235569

IUPAC3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-9-18-16(20)8-10-17-11-13-12-19(2)15-7-5-4-6-14(13)15/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyJVBLGWUTXIQLAR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.18
Rot. Bonds7

About 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide

3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide (PubChem CID 107235569) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
PubChem CID107235569
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-9-18-16(20)8-10-17-11-13-12-19(2)15-7-5-4-6-14(13)15/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyJVBLGWUTXIQLAR-UHFFFAOYSA-N
XLogP2.18
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.18
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

5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
CID 107235570
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide (CID 107235569) is 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1cn(C)c2ccccc12.
What is the InChIKey of 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide?
The InChIKey is JVBLGWUTXIQLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-9-18-16(20)8-10-17-11-13-12-19(2)15-7-5-4-6-14(13)15/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide?
3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 107235569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).