4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide

C17H19NO2 — CID 114486236

IUPAC4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
SMILESCc1ccc(OCc2ccc(C(N)=O)cc2C)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-4-7-16(13(3)8-11)20-10-15-6-5-14(17(18)19)9-12(15)2/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyKKOVFXQZQGHAEN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.29
Rot. Bonds4

About 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide

4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide (PubChem CID 114486236) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
PubChem CID114486236
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
SMILESCc1ccc(OCc2ccc(C(N)=O)cc2C)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-4-7-16(13(3)8-11)20-10-15-6-5-14(17(18)19)9-12(15)2/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyKKOVFXQZQGHAEN-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
3-bromo-4-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 102774285
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(4-bromo-2-methylphenoxy)methyl]-3-methylbenzoic acid
CID 114485775
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide (CID 114486236) is 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide is Cc1ccc(OCc2ccc(C(N)=O)cc2C)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
The InChIKey is KKOVFXQZQGHAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-4-7-16(13(3)8-11)20-10-15-6-5-14(17(18)19)9-12(15)2/h4-9H,10H2,1-3H3,(H2,18,19).
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 114486236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).