2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride

C19H29Cl2N3OS — CID 119849739

IUPAC2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(N)Cc1ccccc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C19H27N3OS.2ClH/c1-3-22(4-2)18(16-10-11-24-14-16)13-21-19(23)17(20)12-15-8-6-5-7-9-15;;/h5-11,14,17-18H,3-4,12-13,20H2,1-2H3,(H,21,23);2*1H
InChIKeyLUDWAVVKEBICSA-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.66
Rot. Bonds9

About 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119849739) has the molecular formula C19H29Cl2N3OS and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119849739
Molecular FormulaC19H29Cl2N3OS
Molecular Weight418.43 g/mol
Exact Mass417.14
IUPAC Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(N)Cc1ccccc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C19H27N3OS.2ClH/c1-3-22(4-2)18(16-10-11-24-14-16)13-21-19(23)17(20)12-15-8-6-5-7-9-15;;/h5-11,14,17-18H,3-4,12-13,20H2,1-2H3,(H,21,23);2*1H
InChIKeyLUDWAVVKEBICSA-UHFFFAOYSA-N
XLogP3.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide;dihydrochloride
CID 119798641
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55660221
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride (CID 119849739) is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride is CCN(CC)C(CNC(=O)C(N)Cc1ccccc1)c1ccsc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is LUDWAVVKEBICSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS.2ClH/c1-3-22(4-2)18(16-10-11-24-14-16)13-21-19(23)17(20)12-15-8-6-5-7-9-15;;/h5-11,14,17-18H,3-4,12-13,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 418.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119849739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).