3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide

C13H20N2O4 — CID 116850705

IUPAC3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
SMILESCNC(=O)CC(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-15-13(16)6-9(14)8-5-11(18-3)12(19-4)7-10(8)17-2/h5,7,9H,6,14H2,1-4H3,(H,15,16)
InChIKeyNIBJATFDBAFCJY-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.85
Rot. Bonds6

About 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide

3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide (PubChem CID 116850705) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
PubChem CID116850705
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
SMILESCNC(=O)CC(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-15-13(16)6-9(14)8-5-11(18-3)12(19-4)7-10(8)17-2/h5,7,9H,6,14H2,1-4H3,(H,15,16)
InChIKeyNIBJATFDBAFCJY-UHFFFAOYSA-N
XLogP0.85
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
(1R)-3-methyl-1-(2,4,5-trimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171199552
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
3-amino-3-(4-fluoro-2,5-dimethoxyphenyl)propanoic acid
CID 117359297
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide (CID 116850705) is 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide is CNC(=O)CC(N)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NIBJATFDBAFCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15-13(16)6-9(14)8-5-11(18-3)12(19-4)7-10(8)17-2/h5,7,9H,6,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide?
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide has a molecular weight of 268.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 116850705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).