2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride

C11H19ClN2O2S — CID 120991220

IUPAC2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)CCc1cccs1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-13(11(14)10(12)8-15-2)6-5-9-4-3-7-16-9;/h3-4,7,10H,5-6,8,12H2,1-2H3;1H
InChIKeyFUNJTYZZKHEINY-UHFFFAOYSA-N
MW278.80 g/mol
LogP1.14
Rot. Bonds6

About 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride

2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride (PubChem CID 120991220) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.80 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
PubChem CID120991220
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.80 g/mol
Exact Mass278.09
IUPAC Name2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)CCc1cccs1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-13(11(14)10(12)8-15-2)6-5-9-4-3-7-16-9;/h3-4,7,10H,5-6,8,12H2,1-2H3;1H
InChIKeyFUNJTYZZKHEINY-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 103224820
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-[2-[(2-amino-3-methoxypropanoyl)-methylamino]ethyl]benzoic acid
CID 104548382
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride (CID 120991220) is 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride is COCC(N)C(=O)N(C)CCc1cccs1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
The InChIKey is FUNJTYZZKHEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.ClH/c1-13(11(14)10(12)8-15-2)6-5-9-4-3-7-16-9;/h3-4,7,10H,5-6,8,12H2,1-2H3;1H.
What are the key properties of 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride has a molecular weight of 278.80 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120991220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).