4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide

C16H18N2O3 — CID 102702450

IUPAC4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
SMILESCOc1ccc(N)c(OCc2ccc(C(N)=O)cc2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-11(16(18)19)3-4-12(10)9-21-15-8-13(20-2)5-6-14(15)17/h3-8H,9,17H2,1-2H3,(H2,18,19)
InChIKeyMVXAEWSHSOBXMD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds5

About 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide

4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide (PubChem CID 102702450) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
PubChem CID102702450
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
SMILESCOc1ccc(N)c(OCc2ccc(C(N)=O)cc2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-11(16(18)19)3-4-12(10)9-21-15-8-13(20-2)5-6-14(15)17/h3-8H,9,17H2,1-2H3,(H2,18,19)
InChIKeyMVXAEWSHSOBXMD-UHFFFAOYSA-N
XLogP2.26
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide (CID 102702450) is 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide is COc1ccc(N)c(OCc2ccc(C(N)=O)cc2C)c1.
What is the InChIKey of 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide?
The InChIKey is MVXAEWSHSOBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-11(16(18)19)3-4-12(10)9-21-15-8-13(20-2)5-6-14(15)17/h3-8H,9,17H2,1-2H3,(H2,18,19).
What are the key properties of 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide?
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 102702450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).