N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride

C18H25ClN2OS — CID 24843722

IUPACN-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CC(C)N(C)Cc1ccccc1)c1cccs1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-4-17(21)20(18-11-8-12-22-18)13-15(2)19(3)14-16-9-6-5-7-10-16;/h5-12,15H,4,13-14H2,1-3H3;1H
InChIKeyJTFXBWYFLGQQJY-UHFFFAOYSA-N
MW352.93 g/mol
LogP4.43
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride

N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride (PubChem CID 24843722) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride
PubChem CID24843722
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC NameN-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CC(C)N(C)Cc1ccccc1)c1cccs1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-4-17(21)20(18-11-8-12-22-18)13-15(2)19(3)14-16-9-6-5-7-10-16;/h5-12,15H,4,13-14H2,1-3H3;1H
InChIKeyJTFXBWYFLGQQJY-UHFFFAOYSA-N
XLogP4.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-phenylethylamino)propyl]-N-thiophen-2-ylpropanamide
CID 3031098
[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
CID 57122019
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
N-benzyl-N-methylbutan-2-amine
CID 15496809
(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
CID 124594306
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
2-ethylheptyl N-benzyl-N-thiophen-2-ylcarbamate
CID 143124562
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
hexyl(thiophen-2-yl)carbamic acid
CID 174246843

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride (CID 24843722) is N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride is CCC(=O)N(CC(C)N(C)Cc1ccccc1)c1cccs1.Cl.
What is the InChIKey of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The InChIKey is JTFXBWYFLGQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-4-17(21)20(18-11-8-12-22-18)13-15(2)19(3)14-16-9-6-5-7-10-16;/h5-12,15H,4,13-14H2,1-3H3;1H.
What are the key properties of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 24843722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).