N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide

C23H23NO3 — CID 126186357

IUPACN-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H23NO3/c1-16-8-13-20(14-17(16)2)24-23(25)19-11-9-18(10-12-19)15-27-22-7-5-4-6-21(22)26-3/h4-14H,15H2,1-3H3,(H,24,25)
InChIKeyVPGDFWZYSMPKTG-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.14
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide

N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide (PubChem CID 126186357) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
PubChem CID126186357
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H23NO3/c1-16-8-13-20(14-17(16)2)24-23(25)19-11-9-18(10-12-19)15-27-22-7-5-4-6-21(22)26-3/h4-14H,15H2,1-3H3,(H,24,25)
InChIKeyVPGDFWZYSMPKTG-UHFFFAOYSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide (CID 126186357) is N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide is COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide?
The InChIKey is VPGDFWZYSMPKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-8-13-20(14-17(16)2)24-23(25)19-11-9-18(10-12-19)15-27-22-7-5-4-6-21(22)26-3/h4-14H,15H2,1-3H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide?
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 126186357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).