N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride

C18H25ClN2OS — CID 120649485

IUPACN-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCCc1cccs1
InChIInChI=1S/C18H24N2OS.ClH/c19-12-6-13-20(15-16-7-2-1-3-8-16)18(21)11-4-9-17-10-5-14-22-17;/h1-3,5,7-8,10,14H,4,6,9,11-13,15,19H2;1H
InChIKeyQVVCVZHKNMVMGO-UHFFFAOYSA-N
MW352.93 g/mol
LogP3.87
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride (PubChem CID 120649485) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
PubChem CID120649485
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCCc1cccs1
InChIInChI=1S/C18H24N2OS.ClH/c19-12-6-13-20(15-16-7-2-1-3-8-16)18(21)11-4-9-17-10-5-14-22-17;/h1-3,5,7-8,10,14H,4,6,9,11-13,15,19H2;1H
InChIKeyQVVCVZHKNMVMGO-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120649292
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120648958
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride (CID 120649485) is N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)CCCc1cccs1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride?
The InChIKey is QVVCVZHKNMVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c19-12-6-13-20(15-16-7-2-1-3-8-16)18(21)11-4-9-17-10-5-14-22-17;/h1-3,5,7-8,10,14H,4,6,9,11-13,15,19H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 120649485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).