2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide

C14H21N3O — CID 61274113

IUPAC2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
SMILESCC(N)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)16-8-4-9-17-10-7-12-5-2-3-6-13(12)17/h2-3,5-6,11H,4,7-10,15H2,1H3,(H,16,18)
InChIKeyVAKKVQCTUYLRNT-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.90
Rot. Bonds5

About 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide

2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide (PubChem CID 61274113) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
PubChem CID61274113
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
SMILESCC(N)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)16-8-4-9-17-10-7-12-5-2-3-6-13(12)17/h2-3,5-6,11H,4,7-10,15H2,1H3,(H,16,18)
InChIKeyVAKKVQCTUYLRNT-UHFFFAOYSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.90
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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Related Compounds

(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
CID 104908137
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636355
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 70862961

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide?
The IUPAC name of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide (CID 61274113) is 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide?
The canonical SMILES for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide is CC(N)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide?
The InChIKey is VAKKVQCTUYLRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)14(18)16-8-4-9-17-10-7-12-5-2-3-6-13(12)17/h2-3,5-6,11H,4,7-10,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide?
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide is sourced from PubChem (CID 61274113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).