3-amino-3-(2,3-dimethoxyphenyl)propanamide

C11H16N2O3 — CID 43147937

IUPAC3-amino-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(C(N)CC(N)=O)c1OC
InChIInChI=1S/C11H16N2O3/c1-15-9-5-3-4-7(11(9)16-2)8(12)6-10(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFRPQOYSYFVRYRQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-3-(2,3-dimethoxyphenyl)propanamide

3-amino-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 43147937) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID43147937
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(C(N)CC(N)=O)c1OC
InChIInChI=1S/C11H16N2O3/c1-15-9-5-3-4-7(11(9)16-2)8(12)6-10(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFRPQOYSYFVRYRQ-UHFFFAOYSA-N
XLogP0.58
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(3R)-3-amino-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 9152418
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
3-(2-methoxyphenyl)pentanediamide
CID 20546356
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098958
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3-dimethoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(2,3-dimethoxyphenyl)propanamide (CID 43147937) is 3-amino-3-(2,3-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2,3-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2,3-dimethoxyphenyl)propanamide is COc1cccc(C(N)CC(N)=O)c1OC.
What is the InChIKey of 3-amino-3-(2,3-dimethoxyphenyl)propanamide?
The InChIKey is FRPQOYSYFVRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-9-5-3-4-7(11(9)16-2)8(12)6-10(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-3-(2,3-dimethoxyphenyl)propanamide?
3-amino-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 43147937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).