N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride

C17H29ClN2O3S — CID 119642284

IUPACN-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCSc1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-5-17(18,6-2)12-19-16(20)9-10-23-13-7-8-14(21-3)15(11-13)22-4;/h7-8,11H,5-6,9-10,12,18H2,1-4H3,(H,19,20);1H
InChIKeyJXBISADMIFGVFO-UHFFFAOYSA-N
MW376.95 g/mol
LogP3.24
Rot. Bonds10

About N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119642284) has the molecular formula C17H29ClN2O3S and a molecular weight of 376.95 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
PubChem CID119642284
Molecular FormulaC17H29ClN2O3S
Molecular Weight376.95 g/mol
Exact Mass376.16
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCSc1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-5-17(18,6-2)12-19-16(20)9-10-23-13-7-8-14(21-3)15(11-13)22-4;/h7-8,11H,5-6,9-10,12,18H2,1-4H3,(H,19,20);1H
InChIKeyJXBISADMIFGVFO-UHFFFAOYSA-N
XLogP3.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119642937
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
N-(2-amino-2-ethylbutyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide;hydrochloride
CID 119642254
N-(2-amino-2-ethylbutyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 119642255
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119640254
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
N-[2-(cycloheptylamino)ethyl]-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119620592
N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119615872

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride (CID 119642284) is N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCSc1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is JXBISADMIFGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S.ClH/c1-5-17(18,6-2)12-19-16(20)9-10-23-13-7-8-14(21-3)15(11-13)22-4;/h7-8,11H,5-6,9-10,12,18H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119642284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).