3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide

C17H18N2O3 — CID 32636546

IUPAC3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
SMILESCc1cccc(OCC(=O)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-4-2-7-15(8-12)22-11-16(20)19-10-13-5-3-6-14(9-13)17(18)21/h2-9H,10-11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyXNKNSFZVNXXIJV-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.79
Rot. Bonds6

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

3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide (PubChem CID 32636546) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
PubChem CID32636546
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
SMILESCc1cccc(OCC(=O)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-4-2-7-15(8-12)22-11-16(20)19-10-13-5-3-6-14(9-13)17(18)21/h2-9H,10-11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyXNKNSFZVNXXIJV-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060202
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide (CID 32636546) is 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide is Cc1cccc(OCC(=O)NCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide?
The InChIKey is XNKNSFZVNXXIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-2-7-15(8-12)22-11-16(20)19-10-13-5-3-6-14(9-13)17(18)21/h2-9H,10-11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide?
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 32636546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).