4-[(2-amino-4-methoxyphenoxy)methyl]benzamide

C15H16N2O3 — CID 24689715

IUPAC4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(N)=O)cc2)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-7-14(13(16)8-12)20-9-10-2-4-11(5-3-10)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyYUTVIOSIEDECLK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.96
Rot. Bonds5

About 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide

4-[(2-amino-4-methoxyphenoxy)methyl]benzamide (PubChem CID 24689715) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
PubChem CID24689715
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(N)=O)cc2)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-7-14(13(16)8-12)20-9-10-2-4-11(5-3-10)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyYUTVIOSIEDECLK-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-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide?
The IUPAC name of 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide (CID 24689715) is 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccc(C(N)=O)cc2)c(N)c1.
What is the InChIKey of 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide?
The InChIKey is YUTVIOSIEDECLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-6-7-14(13(16)8-12)20-9-10-2-4-11(5-3-10)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 4-[(2-amino-4-methoxyphenoxy)methyl]benzamide?
4-[(2-amino-4-methoxyphenoxy)methyl]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-[(2-amino-4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 24689715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).