3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide

C16H18N2O2 — CID 43376384

IUPAC3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
SMILESCc1cccc(C)c1OCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H18N2O2/c1-10-4-3-5-11(2)15(10)20-9-13-7-6-12(16(18)19)8-14(13)17/h3-8H,9,17H2,1-2H3,(H2,18,19)
InChIKeyBMGSJSPLHATIFC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide

3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide (PubChem CID 43376384) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
PubChem CID43376384
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
SMILESCc1cccc(C)c1OCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H18N2O2/c1-10-4-3-5-11(2)15(10)20-9-13-7-6-12(16(18)19)8-14(13)17/h3-8H,9,17H2,1-2H3,(H2,18,19)
InChIKeyBMGSJSPLHATIFC-UHFFFAOYSA-N
XLogP2.56
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
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-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
3-amino-4-ethylbenzamide
CID 19977641
4-[(2,6-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482196
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 43376404
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide?
The IUPAC name of 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide (CID 43376384) is 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide is Cc1cccc(C)c1OCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide?
The InChIKey is BMGSJSPLHATIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-3-5-11(2)15(10)20-9-13-7-6-12(16(18)19)8-14(13)17/h3-8H,9,17H2,1-2H3,(H2,18,19).
What are the key properties of 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide?
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 43376384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).