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

C16H17NO2 — CID 114486222

IUPAC3-methyl-4-[(2-methylphenoxy)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1COc1ccccc1C
InChIInChI=1S/C16H17NO2/c1-11-5-3-4-6-15(11)19-10-14-8-7-13(16(17)18)9-12(14)2/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyNTSRJBWRPILBAU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.98
Rot. Bonds4

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

3-methyl-4-[(2-methylphenoxy)methyl]benzamide (PubChem CID 114486222) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(2-methylphenoxy)methyl]benzamide
PubChem CID114486222
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-methyl-4-[(2-methylphenoxy)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1COc1ccccc1C
InChIInChI=1S/C16H17NO2/c1-11-5-3-4-6-15(11)19-10-14-8-7-13(16(17)18)9-12(14)2/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyNTSRJBWRPILBAU-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-[(2-methylphenoxy)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
CID 114482179
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-[(2,3-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482203
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylphenoxy)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(2-methylphenoxy)methyl]benzamide (CID 114486222) is 3-methyl-4-[(2-methylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(2-methylphenoxy)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(2-methylphenoxy)methyl]benzamide is Cc1cc(C(N)=O)ccc1COc1ccccc1C.
What is the InChIKey of 3-methyl-4-[(2-methylphenoxy)methyl]benzamide?
The InChIKey is NTSRJBWRPILBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-3-4-6-15(11)19-10-14-8-7-13(16(17)18)9-12(14)2/h3-9H,10H2,1-2H3,(H2,17,18).
What are the key properties of 3-methyl-4-[(2-methylphenoxy)methyl]benzamide?
3-methyl-4-[(2-methylphenoxy)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 114486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).