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

C20H27Cl2N3O — CID 119953257

IUPAC3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC(CNC(=O)CC(N)c1ccccc1)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15(23-12-11-17-9-5-6-10-19(17)23)14-22-20(24)13-18(21)16-7-3-2-4-8-16;;/h2-10,15,18H,11-14,21H2,1H3,(H,22,24);2*1H
InChIKeyJEIXFJNGVGDNSU-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.49
Rot. Bonds6

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

3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953257) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953257
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC(CNC(=O)CC(N)c1ccccc1)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15(23-12-11-17-9-5-6-10-19(17)23)14-22-20(24)13-18(21)16-7-3-2-4-8-16;;/h2-10,15,18H,11-14,21H2,1H3,(H,22,24);2*1H
InChIKeyJEIXFJNGVGDNSU-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
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2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120644013

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride (CID 119953257) is 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride is CC(CNC(=O)CC(N)c1ccccc1)N1CCc2ccccc21.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is JEIXFJNGVGDNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-15(23-12-11-17-9-5-6-10-19(17)23)14-22-20(24)13-18(21)16-7-3-2-4-8-16;;/h2-10,15,18H,11-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 3.49, 6 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-yl)propyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).