2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C20H27Cl2N3O — CID 120669700

IUPAC2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN2CCc3ccccc32)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-7-9-17(10-8-15)19(21)20(24)22-12-4-13-23-14-11-16-5-2-3-6-18(16)23;;/h2-3,5-10,19H,4,11-14,21H2,1H3,(H,22,24);2*1H
InChIKeyFTZWEPNWHLSDPF-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.41
Rot. Bonds6

About 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669700) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669700
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN2CCc3ccccc32)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-7-9-17(10-8-15)19(21)20(24)22-12-4-13-23-14-11-16-5-2-3-6-18(16)23;;/h2-3,5-10,19H,4,11-14,21H2,1H3,(H,22,24);2*1H
InChIKeyFTZWEPNWHLSDPF-UHFFFAOYSA-N
XLogP3.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.41
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
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
CID 104908137
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-phenylacetamide;dihydrochloride
CID 119851308
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 100678157
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38463572
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636355
2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668367

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669700) is 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCCCN2CCc3ccccc32)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is FTZWEPNWHLSDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-15-7-9-17(10-8-15)19(21)20(24)22-12-4-13-23-14-11-16-5-2-3-6-18(16)23;;/h2-3,5-10,19H,4,11-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 3.41, 6 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-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).