4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride

C12H19ClN2O3 — CID 120586371

IUPAC4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1cccc(NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-16-10-5-3-4-9(6-10)14-12(15)7-11(8-13)17-2;/h3-6,11H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyBDWUEJJMMYANOL-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.42
Rot. Bonds6

About 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride (PubChem CID 120586371) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
PubChem CID120586371
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1cccc(NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-16-10-5-3-4-9(6-10)14-12(15)7-11(8-13)17-2;/h3-6,11H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyBDWUEJJMMYANOL-UHFFFAOYSA-N
XLogP1.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 120586763
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride (CID 120586371) is 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride is COc1cccc(NC(=O)CC(CN)OC)c1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is BDWUEJJMMYANOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.ClH/c1-16-10-5-3-4-9(6-10)14-12(15)7-11(8-13)17-2;/h3-6,11H,7-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.42, 6 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-(3-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120586371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).