2-amino-3-[3-(methoxymethyl)phenoxy]benzamide

C15H16N2O3 — CID 115547294

IUPAC2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
SMILESCOCc1cccc(Oc2cccc(C(N)=O)c2N)c1
InChIInChI=1S/C15H16N2O3/c1-19-9-10-4-2-5-11(8-10)20-13-7-3-6-12(14(13)16)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFWNWMSCRLCCOPX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.31
Rot. Bonds5

About 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide

2-amino-3-[3-(methoxymethyl)phenoxy]benzamide (PubChem CID 115547294) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide.

Molecular Properties

Compound Name2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
PubChem CID115547294
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
SMILESCOCc1cccc(Oc2cccc(C(N)=O)c2N)c1
InChIInChI=1S/C15H16N2O3/c1-19-9-10-4-2-5-11(8-10)20-13-7-3-6-12(14(13)16)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFWNWMSCRLCCOPX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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

methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
CID 115547292
2-amino-5-[3-(methoxymethyl)phenoxy]benzamide
CID 63987043
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
2-chloro-4-[3-(methoxymethyl)phenoxy]benzenecarbothioamide
CID 63986771
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide?
The IUPAC name of 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide (CID 115547294) is 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide.
What is the SMILES notation for 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide?
The canonical SMILES for 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide is COCc1cccc(Oc2cccc(C(N)=O)c2N)c1.
What is the InChIKey of 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide?
The InChIKey is FWNWMSCRLCCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-9-10-4-2-5-11(8-10)20-13-7-3-6-12(14(13)16)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide?
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(methoxymethyl)phenoxy]benzamide is sourced from PubChem (CID 115547294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).