2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride

C21H28Cl2N4O — CID 119891246

IUPAC2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)CCn1ccc2ccc(NC(=O)C(N)Cc3ccccc3)cc21.Cl.Cl
InChIInChI=1S/C21H26N4O.2ClH/c1-24(2)12-13-25-11-10-17-8-9-18(15-20(17)25)23-21(26)19(22)14-16-6-4-3-5-7-16;;/h3-11,15,19H,12-14,22H2,1-2H3,(H,23,26);2*1H
InChIKeyMUHIWXNZTYHLDK-UHFFFAOYSA-N
MW423.39 g/mol
LogP3.56
Rot. Bonds7

About 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119891246) has the molecular formula C21H28Cl2N4O and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
PubChem CID119891246
Molecular FormulaC21H28Cl2N4O
Molecular Weight423.39 g/mol
Exact Mass422.16
IUPAC Name2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)CCn1ccc2ccc(NC(=O)C(N)Cc3ccccc3)cc21.Cl.Cl
InChIInChI=1S/C21H26N4O.2ClH/c1-24(2)12-13-25-11-10-17-8-9-18(15-20(17)25)23-21(26)19(22)14-16-6-4-3-5-7-16;;/h3-11,15,19H,12-14,22H2,1-2H3,(H,23,26);2*1H
InChIKeyMUHIWXNZTYHLDK-UHFFFAOYSA-N
XLogP3.56
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-hydroxy-2-phenylacetamide
CID 111539900
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800919
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 49499136
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride (CID 119891246) is 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride is CN(C)CCn1ccc2ccc(NC(=O)C(N)Cc3ccccc3)cc21.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is MUHIWXNZTYHLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.2ClH/c1-24(2)12-13-25-11-10-17-8-9-18(15-20(17)25)23-21(26)19(22)14-16-6-4-3-5-7-16;;/h3-11,15,19H,12-14,22H2,1-2H3,(H,23,26);2*1H.
What are the key properties of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 423.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119891246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).