3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide

C13H20N2O3 — CID 82070872

IUPAC3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1cc(CCC(=O)N(C)C)cc(N)c1OC
InChIInChI=1S/C13H20N2O3/c1-15(2)12(16)6-5-9-7-10(14)13(18-4)11(8-9)17-3/h7-8H,5-6,14H2,1-4H3
InChIKeyQJFDKGUGIRXCAD-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.31
Rot. Bonds5

About 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide

3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide (PubChem CID 82070872) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
PubChem CID82070872
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1cc(CCC(=O)N(C)C)cc(N)c1OC
InChIInChI=1S/C13H20N2O3/c1-15(2)12(16)6-5-9-7-10(14)13(18-4)11(8-9)17-3/h7-8H,5-6,14H2,1-4H3
InChIKeyQJFDKGUGIRXCAD-UHFFFAOYSA-N
XLogP1.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
CID 143526710
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82071054
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
2,3-dimethoxy-5-(5-phenylpentyl)aniline
CID 71371223
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide (CID 82070872) is 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide is COc1cc(CCC(=O)N(C)C)cc(N)c1OC.
What is the InChIKey of 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide?
The InChIKey is QJFDKGUGIRXCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)12(16)6-5-9-7-10(14)13(18-4)11(8-9)17-3/h7-8H,5-6,14H2,1-4H3.
What are the key properties of 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide?
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 82070872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).