N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide

C17H25N3O — CID 71702177

IUPACN-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)NCCCN(C)C)cccc21
InChIInChI=1S/C17H25N3O/c1-13(2)20-12-9-14-15(7-5-8-16(14)20)17(21)18-10-6-11-19(3)4/h5,7-9,12-13H,6,10-11H2,1-4H3,(H,18,21)
InChIKeyPLYIUBVSTLIPHM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide

N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide (PubChem CID 71702177) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
PubChem CID71702177
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)NCCCN(C)C)cccc21
InChIInChI=1S/C17H25N3O/c1-13(2)20-12-9-14-15(7-5-8-16(14)20)17(21)18-10-6-11-19(3)4/h5,7-9,12-13H,6,10-11H2,1-4H3,(H,18,21)
InChIKeyPLYIUBVSTLIPHM-UHFFFAOYSA-N
XLogP2.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
CID 71706054
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701163
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
2-amino-3-bromo-N-[4-(dimethylamino)butyl]benzamide
CID 110451091

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide (CID 71702177) is N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide is CC(C)n1ccc2c(C(=O)NCCCN(C)C)cccc21.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide?
The InChIKey is PLYIUBVSTLIPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-12-9-14-15(7-5-8-16(14)20)17(21)18-10-6-11-19(3)4/h5,7-9,12-13H,6,10-11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 71702177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).