N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride

C14H25ClN2OS — CID 3031107

IUPACN-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CC(C)N(CC)CC)c1cccs1.Cl
InChIInChI=1S/C14H24N2OS.ClH/c1-5-13(17)16(14-9-8-10-18-14)11-12(4)15(6-2)7-3;/h8-10,12H,5-7,11H2,1-4H3;1H
InChIKeyOPMYCUUCBZEHHE-UHFFFAOYSA-N
MW304.89 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride

N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride (PubChem CID 3031107) has the molecular formula C14H25ClN2OS and a molecular weight of 304.89 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride
PubChem CID3031107
Molecular FormulaC14H25ClN2OS
Molecular Weight304.89 g/mol
Exact Mass304.14
IUPAC NameN-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CC(C)N(CC)CC)c1cccs1.Cl
InChIInChI=1S/C14H24N2OS.ClH/c1-5-13(17)16(14-9-8-10-18-14)11-12(4)15(6-2)7-3;/h8-10,12H,5-7,11H2,1-4H3;1H
InChIKeyOPMYCUUCBZEHHE-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.89
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride (CID 3031107) is N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride is CCC(=O)N(CC(C)N(CC)CC)c1cccs1.Cl.
What is the InChIKey of N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The InChIKey is OPMYCUUCBZEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS.ClH/c1-5-13(17)16(14-9-8-10-18-14)11-12(4)15(6-2)7-3;/h8-10,12H,5-7,11H2,1-4H3;1H.
What are the key properties of N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride has a molecular weight of 304.89 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 3031107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).