3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide

C16H18N2O3 — CID 43376560

IUPAC3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
SMILESCOc1cc(C)ccc1OCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H18N2O3/c1-10-3-6-14(15(7-10)20-2)21-9-12-5-4-11(16(18)19)8-13(12)17/h3-8H,9,17H2,1-2H3,(H2,18,19)
InChIKeyPVSDOZTVVWPXCF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide

3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide (PubChem CID 43376560) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
PubChem CID43376560
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
SMILESCOc1cc(C)ccc1OCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H18N2O3/c1-10-3-6-14(15(7-10)20-2)21-9-12-5-4-11(16(18)19)8-13(12)17/h3-8H,9,17H2,1-2H3,(H2,18,19)
InChIKeyPVSDOZTVVWPXCF-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

3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
3-amino-4-ethylbenzamide
CID 19977641
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide?
The IUPAC name of 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide (CID 43376560) is 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide is COc1cc(C)ccc1OCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide?
The InChIKey is PVSDOZTVVWPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-3-6-14(15(7-10)20-2)21-9-12-5-4-11(16(18)19)8-13(12)17/h3-8H,9,17H2,1-2H3,(H2,18,19).
What are the key properties of 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide?
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide 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 3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 43376560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).