3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C16H22F3N3O2 — CID 55720483

IUPAC3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCCCN(C)CC(F)(F)F)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H22F3N3O2/c1-10-13-11(5-3-6-12(13)23)21-14(10)15(24)20-7-4-8-22(2)9-16(17,18)19/h21H,3-9H2,1-2H3,(H,20,24)
InChIKeyRUUKBGHGIUVEQZ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.46
Rot. Bonds6

About 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55720483) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID55720483
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCCCN(C)CC(F)(F)F)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H22F3N3O2/c1-10-13-11(5-3-6-12(13)23)21-14(10)15(24)20-7-4-8-22(2)9-16(17,18)19/h21H,3-9H2,1-2H3,(H,20,24)
InChIKeyRUUKBGHGIUVEQZ-UHFFFAOYSA-N
XLogP2.46
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55720483) is 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NCCCN(C)CC(F)(F)F)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is RUUKBGHGIUVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-13-11(5-3-6-12(13)23)21-14(10)15(24)20-7-4-8-22(2)9-16(17,18)19/h21H,3-9H2,1-2H3,(H,20,24).
What are the key properties of 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55720483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).