3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide

C17H19N3O — CID 63235966

IUPAC3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESNCCC1CN(C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N3O/c18-11-10-13-12-20(16-9-5-4-8-15(13)16)17(21)19-14-6-2-1-3-7-14/h1-9,13H,10-12,18H2,(H,19,21)
InChIKeyZPZVRDMNPOYFDP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds3

About 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide

3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide (PubChem CID 63235966) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
PubChem CID63235966
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESNCCC1CN(C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N3O/c18-11-10-13-12-20(16-9-5-4-8-15(13)16)17(21)19-14-6-2-1-3-7-14/h1-9,13H,10-12,18H2,(H,19,21)
InChIKeyZPZVRDMNPOYFDP-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide (CID 63235966) is 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide is NCCC1CN(C(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is ZPZVRDMNPOYFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-11-10-13-12-20(16-9-5-4-8-15(13)16)17(21)19-14-6-2-1-3-7-14/h1-9,13H,10-12,18H2,(H,19,21).
What are the key properties of 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide?
3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 63235966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).