2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide

C11H16N2O2 — CID 130276414

IUPAC2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
SMILESCOc1cc(CC(=O)N(C)C)ccc1N
InChIInChI=1S/C11H16N2O2/c1-13(2)11(14)7-8-4-5-9(12)10(6-8)15-3/h4-6H,7,12H2,1-3H3
InChIKeyXUGKAGXVULUZJF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds3

About 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide

2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide (PubChem CID 130276414) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
PubChem CID130276414
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
SMILESCOc1cc(CC(=O)N(C)C)ccc1N
InChIInChI=1S/C11H16N2O2/c1-13(2)11(14)7-8-4-5-9(12)10(6-8)15-3/h4-6H,7,12H2,1-3H3
InChIKeyXUGKAGXVULUZJF-UHFFFAOYSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
CID 130277045
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide
CID 129058955
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
CID 67480322
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
2-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 89069998
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide (CID 130276414) is 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide is COc1cc(CC(=O)N(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide?
The InChIKey is XUGKAGXVULUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)11(14)7-8-4-5-9(12)10(6-8)15-3/h4-6H,7,12H2,1-3H3.
What are the key properties of 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide?
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide has a molecular weight of 208.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 130276414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).