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

C15H23N3O — CID 61264292

IUPAC2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,16)14(19)17-9-5-10-18-11-8-12-6-3-4-7-13(12)18/h3-4,6-7H,5,8-11,16H2,1-2H3,(H,17,19)
InChIKeyPFDIMOHWUVRRAO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds5

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

2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide (PubChem CID 61264292) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
PubChem CID61264292
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,16)14(19)17-9-5-10-18-11-8-12-6-3-4-7-13(12)18/h3-4,6-7H,5,8-11,16H2,1-2H3,(H,17,19)
InChIKeyPFDIMOHWUVRRAO-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
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

2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
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
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
CID 104908137
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 71893155

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide (CID 61264292) is 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide is CC(C)(N)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide?
The InChIKey is PFDIMOHWUVRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,16)14(19)17-9-5-10-18-11-8-12-6-3-4-7-13(12)18/h3-4,6-7H,5,8-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide?
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.29, 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]-2-methylpropanamide is sourced from PubChem (CID 61264292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).