2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide

C17H20N2O — CID 82017396

IUPAC2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide
SMILESCC(C(N)=O)n1c(-c2ccccc2)cc2c1CCCC2
InChIInChI=1S/C17H20N2O/c1-12(17(18)20)19-15-10-6-5-9-14(15)11-16(19)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,18,20)
InChIKeyHZMFMUKJEICGJB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds3

About 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide

2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide (PubChem CID 82017396) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide.

Molecular Properties

Compound Name2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide
PubChem CID82017396
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide
SMILESCC(C(N)=O)n1c(-c2ccccc2)cc2c1CCCC2
InChIInChI=1S/C17H20N2O/c1-12(17(18)20)19-15-10-6-5-9-14(15)11-16(19)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,18,20)
InChIKeyHZMFMUKJEICGJB-UHFFFAOYSA-N
XLogP3.08
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide?
The IUPAC name of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide (CID 82017396) is 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide.
What is the SMILES notation for 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide?
The canonical SMILES for 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide is CC(C(N)=O)n1c(-c2ccccc2)cc2c1CCCC2.
What is the InChIKey of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide?
The InChIKey is HZMFMUKJEICGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(17(18)20)19-15-10-6-5-9-14(15)11-16(19)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide?
2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)propanamide is sourced from PubChem (CID 82017396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).