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

C12H21ClN2O2S — CID 120989918

IUPAC2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(C)(C)c1cccs1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-12(2,10-5-4-6-17-10)8-14-11(15)9(13)7-16-3;/h4-6,9H,7-8,13H2,1-3H3,(H,14,15);1H
InChIKeyQUDIWFRJSQZRID-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.54
Rot. Bonds6

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

2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride (PubChem CID 120989918) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
PubChem CID120989918
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(C)(C)c1cccs1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-12(2,10-5-4-6-17-10)8-14-11(15)9(13)7-16-3;/h4-6,9H,7-8,13H2,1-3H3,(H,14,15);1H
InChIKeyQUDIWFRJSQZRID-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
(2R)-2-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylacetamide
CID 80527246
3-methoxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanoic acid
CID 103257586
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 80526634
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride (CID 120989918) is 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride is COCC(N)C(=O)NCC(C)(C)c1cccs1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride?
The InChIKey is QUDIWFRJSQZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-12(2,10-5-4-6-17-10)8-14-11(15)9(13)7-16-3;/h4-6,9H,7-8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride?
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 120989918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).