3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide

C17H25N3O — CID 107235570

IUPAC3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-4-10-19-17(21)9-11-18-12-16-13(2)14-7-5-6-8-15(14)20(16)3/h5-8,18H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyKGTGRHSTVSWLPO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.49
Rot. Bonds7

About 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide

3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide (PubChem CID 107235570) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
PubChem CID107235570
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-4-10-19-17(21)9-11-18-12-16-13(2)14-7-5-6-8-15(14)20(16)3/h5-8,18H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyKGTGRHSTVSWLPO-UHFFFAOYSA-N
XLogP2.49
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1,3-dimethylindol-2-yl)methylamino]pentanamide
CID 106233704
3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
CID 107235569
tert-butyl N-[2-[(1,3-dimethylindol-2-yl)methylamino]ethyl]carbamate
CID 107241393
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
CID 107236210
N-[(1,3-dimethylindol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 107236223
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
CID 107235809
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 107234652

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide (CID 107235570) is 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1c(C)c2ccccc2n1C.
What is the InChIKey of 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is KGTGRHSTVSWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-10-19-17(21)9-11-18-12-16-13(2)14-7-5-6-8-15(14)20(16)3/h5-8,18H,4,9-12H2,1-3H3,(H,19,21).
What are the key properties of 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide?
3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 287.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 107235570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).