3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide

C18H21N3O — CID 119853062

IUPAC3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
SMILESNCCC(=O)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c19-11-9-18(22)20-16-7-3-1-6-15(16)13-21-12-10-14-5-2-4-8-17(14)21/h1-8H,9-13,19H2,(H,20,22)
InChIKeyHWFSFLLTTZUVKA-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide

3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide (PubChem CID 119853062) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
PubChem CID119853062
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
SMILESNCCC(=O)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c19-11-9-18(22)20-16-7-3-1-6-15(16)13-21-12-10-14-5-2-4-8-17(14)21/h1-8H,9-13,19H2,(H,20,22)
InChIKeyHWFSFLLTTZUVKA-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 55895342
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55895212
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393
2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119853033
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98364953
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 129419104
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 55895972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide (CID 119853062) is 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide is NCCC(=O)Nc1ccccc1CN1CCc2ccccc21.
What is the InChIKey of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide?
The InChIKey is HWFSFLLTTZUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-11-9-18(22)20-16-7-3-1-6-15(16)13-21-12-10-14-5-2-4-8-17(14)21/h1-8H,9-13,19H2,(H,20,22).
What are the key properties of 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide?
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide has a molecular weight of 295.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 119853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).