4-amino-N-methyl-3-(3-methylphenoxy)benzamide

C15H16N2O2 — CID 63357062

IUPAC4-amino-N-methyl-3-(3-methylphenoxy)benzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cccc(C)c2)c1
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-12(8-10)19-14-9-11(15(18)17-2)6-7-13(14)16/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUHRMCSYJTLDIAJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.73
Rot. Bonds3

About 4-amino-N-methyl-3-(3-methylphenoxy)benzamide

4-amino-N-methyl-3-(3-methylphenoxy)benzamide (PubChem CID 63357062) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(3-methylphenoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(3-methylphenoxy)benzamide
PubChem CID63357062
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-methyl-3-(3-methylphenoxy)benzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cccc(C)c2)c1
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-12(8-10)19-14-9-11(15(18)17-2)6-7-13(14)16/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUHRMCSYJTLDIAJ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.73
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

4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
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-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
2,4-bis(3-methylphenoxy)aniline
CID 34173748
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(3-methylphenoxy)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(3-methylphenoxy)benzamide (CID 63357062) is 4-amino-N-methyl-3-(3-methylphenoxy)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(3-methylphenoxy)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(3-methylphenoxy)benzamide is CNC(=O)c1ccc(N)c(Oc2cccc(C)c2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(3-methylphenoxy)benzamide?
The InChIKey is UHRMCSYJTLDIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-3-5-12(8-10)19-14-9-11(15(18)17-2)6-7-13(14)16/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-methyl-3-(3-methylphenoxy)benzamide?
4-amino-N-methyl-3-(3-methylphenoxy)benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(3-methylphenoxy)benzamide is sourced from PubChem (CID 63357062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).