3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide

C12H18N2O2 — CID 116850930

IUPAC3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
SMILESCOc1cc(C)c(C(N)CC(N)=O)cc1C
InChIInChI=1S/C12H18N2O2/c1-7-5-11(16-3)8(2)4-9(7)10(13)6-12(14)15/h4-5,10H,6,13H2,1-3H3,(H2,14,15)
InChIKeyHMIUCHMBZMXYLH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide

3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide (PubChem CID 116850930) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
PubChem CID116850930
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
SMILESCOc1cc(C)c(C(N)CC(N)=O)cc1C
InChIInChI=1S/C12H18N2O2/c1-7-5-11(16-3)8(2)4-9(7)10(13)6-12(14)15/h4-5,10H,6,13H2,1-3H3,(H2,14,15)
InChIKeyHMIUCHMBZMXYLH-UHFFFAOYSA-N
XLogP1.19
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938400
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide (CID 116850930) is 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide is COc1cc(C)c(C(N)CC(N)=O)cc1C.
What is the InChIKey of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide?
The InChIKey is HMIUCHMBZMXYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-5-11(16-3)8(2)4-9(7)10(13)6-12(14)15/h4-5,10H,6,13H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide?
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 116850930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).