4-amino-3-methoxy-N-(3-methylphenyl)butanamide

C12H18N2O2 — CID 103154212

IUPAC4-amino-3-methoxy-N-(3-methylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-10(6-9)14-12(15)7-11(8-13)16-2/h3-6,11H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyUVYFLOCOMHWQKI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.30
Rot. Bonds5

About 4-amino-3-methoxy-N-(3-methylphenyl)butanamide

4-amino-3-methoxy-N-(3-methylphenyl)butanamide (PubChem CID 103154212) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-methylphenyl)butanamide
PubChem CID103154212
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-3-methoxy-N-(3-methylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-10(6-9)14-12(15)7-11(8-13)16-2/h3-6,11H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyUVYFLOCOMHWQKI-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
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
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593754
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(3-methylphenyl)butanamide (CID 103154212) is 4-amino-3-methoxy-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3-methylphenyl)butanamide is COC(CN)CC(=O)Nc1cccc(C)c1.
What is the InChIKey of 4-amino-3-methoxy-N-(3-methylphenyl)butanamide?
The InChIKey is UVYFLOCOMHWQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-3-5-10(6-9)14-12(15)7-11(8-13)16-2/h3-6,11H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-methoxy-N-(3-methylphenyl)butanamide?
4-amino-3-methoxy-N-(3-methylphenyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 103154212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).