4-[(3-amino-4-methoxyphenyl)methoxy]benzamide

C15H16N2O3 — CID 28557381

IUPAC4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
SMILESCOc1ccc(COc2ccc(C(N)=O)cc2)cc1N
InChIInChI=1S/C15H16N2O3/c1-19-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFXGPLRTVQRAIKK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.96
Rot. Bonds5

About 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide

4-[(3-amino-4-methoxyphenyl)methoxy]benzamide (PubChem CID 28557381) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
PubChem CID28557381
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
SMILESCOc1ccc(COc2ccc(C(N)=O)cc2)cc1N
InChIInChI=1S/C15H16N2O3/c1-19-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFXGPLRTVQRAIKK-UHFFFAOYSA-N
XLogP1.96
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.96
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-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
3-[(3-amino-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 103566547
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
4-methoxy-3-phenylmethoxybenzamide
CID 22467475

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide?
The IUPAC name of 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide (CID 28557381) is 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide.
What is the SMILES notation for 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide?
The canonical SMILES for 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide is COc1ccc(COc2ccc(C(N)=O)cc2)cc1N.
What is the InChIKey of 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide?
The InChIKey is FXGPLRTVQRAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide?
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide has a molecular weight of 272.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 28557381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).