3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide

C16H18N2O2 — CID 83000096

IUPAC3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2cc(C)ccc2C)c(N)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-5-11(2)15(8-10)20-14-7-6-12(9-13(14)17)16(19)18-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyHAYKMGQZJMSNHS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds3

About 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide

3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide (PubChem CID 83000096) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
PubChem CID83000096
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2cc(C)ccc2C)c(N)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-5-11(2)15(8-10)20-14-7-6-12(9-13(14)17)16(19)18-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyHAYKMGQZJMSNHS-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
methyl 3-amino-4-(2-methoxy-4-methylphenoxy)benzoate
CID 61307558
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978
methyl 3-amino-4-(2-chloro-4-methylphenoxy)benzoate
CID 62674146
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide (CID 83000096) is 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide is CNC(=O)c1ccc(Oc2cc(C)ccc2C)c(N)c1.
What is the InChIKey of 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide?
The InChIKey is HAYKMGQZJMSNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-5-11(2)15(8-10)20-14-7-6-12(9-13(14)17)16(19)18-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide?
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide is sourced from PubChem (CID 83000096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).