3-amino-4-methoxy-N,N-dimethylbenzamide

C10H14N2O2 — CID 16788071

IUPAC3-amino-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C10H14N2O2/c1-12(2)10(13)7-4-5-9(14-3)8(11)6-7/h4-6H,11H2,1-3H3
InChIKeySJKKMKJDUYNDNW-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-4-methoxy-N,N-dimethylbenzamide

3-amino-4-methoxy-N,N-dimethylbenzamide (PubChem CID 16788071) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N,N-dimethylbenzamide
PubChem CID16788071
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C10H14N2O2/c1-12(2)10(13)7-4-5-9(14-3)8(11)6-7/h4-6H,11H2,1-3H3
InChIKeySJKKMKJDUYNDNW-UHFFFAOYSA-N
XLogP0.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-methoxy-N,N-dimethylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-methoxy-N,N-dimethylbenzamide (CID 16788071) is 3-amino-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is SJKKMKJDUYNDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)10(13)7-4-5-9(14-3)8(11)6-7/h4-6H,11H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N,N-dimethylbenzamide?
3-amino-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 194.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 16788071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).