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

C19H29Cl2N3OS — CID 120595403

IUPAC2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(C)(N)c1ccccc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C19H27N3OS.2ClH/c1-4-22(5-2)17(15-11-12-24-14-15)13-21-18(23)19(3,20)16-9-7-6-8-10-16;;/h6-12,14,17H,4-5,13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyCNXCYMAUXBRONU-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.96
Rot. Bonds8

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

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120595403) 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]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120595403
Molecular FormulaC19H29Cl2N3OS
Molecular Weight418.43 g/mol
Exact Mass417.14
IUPAC Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(C)(N)c1ccccc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C19H27N3OS.2ClH/c1-4-22(5-2)17(15-11-12-24-14-15)13-21-18(23)19(3,20)16-9-7-6-8-10-16;;/h6-12,14,17H,4-5,13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyCNXCYMAUXBRONU-UHFFFAOYSA-N
XLogP3.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride (CID 120595403) is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride is CCN(CC)C(CNC(=O)C(C)(N)c1ccccc1)c1ccsc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is CNXCYMAUXBRONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS.2ClH/c1-4-22(5-2)17(15-11-12-24-14-15)13-21-18(23)19(3,20)16-9-7-6-8-10-16;;/h6-12,14,17H,4-5,13,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 418.43 g/mol, XLogP of 3.96, 8 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]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).