3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide

C12H18N2O3 — CID 116850956

IUPAC3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(C(N)CC(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-7-4-10(16-2)11(17-3)5-8(7)9(13)6-12(14)15/h4-5,9H,6,13H2,1-3H3,(H2,14,15)
InChIKeyAXIFXJOIKHWNBY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide

3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide (PubChem CID 116850956) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
PubChem CID116850956
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(C(N)CC(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-7-4-10(16-2)11(17-3)5-8(7)9(13)6-12(14)15/h4-5,9H,6,13H2,1-3H3,(H2,14,15)
InChIKeyAXIFXJOIKHWNBY-UHFFFAOYSA-N
XLogP0.89
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
3-amino-3-(4-chloro-5-methoxy-2-methylphenyl)propanoic acid
CID 84802119
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide (CID 116850956) is 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide is COc1cc(C)c(C(N)CC(N)=O)cc1OC.
What is the InChIKey of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide?
The InChIKey is AXIFXJOIKHWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-4-10(16-2)11(17-3)5-8(7)9(13)6-12(14)15/h4-5,9H,6,13H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide?
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 116850956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).