4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride

C11H19ClN2O2S — CID 120587130

IUPAC4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1cccs1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-15-9(8-12)7-11(14)13-5-4-10-3-2-6-16-10;/h2-3,6,9H,4-5,7-8,12H2,1H3,(H,13,14);1H
InChIKeyFNMCRQFFBAPHIK-UHFFFAOYSA-N
MW278.80 g/mol
LogP1.19
Rot. Bonds7

About 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride (PubChem CID 120587130) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.80 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
PubChem CID120587130
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.80 g/mol
Exact Mass278.09
IUPAC Name4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1cccs1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-15-9(8-12)7-11(14)13-5-4-10-3-2-6-16-10;/h2-3,6,9H,4-5,7-8,12H2,1H3,(H,13,14);1H
InChIKeyFNMCRQFFBAPHIK-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride
CID 120591781
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-3-methoxy-N-[2-(2-nitrophenyl)ethyl]butanamide
CID 120593305
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride (CID 120587130) is 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride is COC(CN)CC(=O)NCCc1cccs1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride?
The InChIKey is FNMCRQFFBAPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.ClH/c1-15-9(8-12)7-11(14)13-5-4-10-3-2-6-16-10;/h2-3,6,9H,4-5,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride has a molecular weight of 278.80 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120587130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).