2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide

C17H27N3O — CID 102661516

IUPAC2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCc2cc(C(C)N)ccc21
InChIInChI=1S/C17H27N3O/c1-12(2)6-8-19-17(21)11-20-9-7-15-10-14(13(3)18)4-5-16(15)20/h4-5,10,12-13H,6-9,11,18H2,1-3H3,(H,19,21)
InChIKeyPSYBVOOZXAYAQG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.23
Rot. Bonds6

About 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide

2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 102661516) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID102661516
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCc2cc(C(C)N)ccc21
InChIInChI=1S/C17H27N3O/c1-12(2)6-8-19-17(21)11-20-9-7-15-10-14(13(3)18)4-5-16(15)20/h4-5,10,12-13H,6-9,11,18H2,1-3H3,(H,19,21)
InChIKeyPSYBVOOZXAYAQG-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-propylacetamide
CID 102662362
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 64662539
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662
(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
CID 66512358
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide (CID 102661516) is 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1CCc2cc(C(C)N)ccc21.
What is the InChIKey of 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is PSYBVOOZXAYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)6-8-19-17(21)11-20-9-7-15-10-14(13(3)18)4-5-16(15)20/h4-5,10,12-13H,6-9,11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide?
2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 102661516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).