N-(2,4-dimethoxyphenyl)-4-methylbenzamide

C16H17NO3 — CID 710605

IUPACN-(2,4-dimethoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(18)17-14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyAGWCBNJDPXUGEN-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-4-methylbenzamide

N-(2,4-dimethoxyphenyl)-4-methylbenzamide (PubChem CID 710605) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methylbenzamide
PubChem CID710605
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(18)17-14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyAGWCBNJDPXUGEN-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylbenzamide (CID 710605) is N-(2,4-dimethoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
The InChIKey is AGWCBNJDPXUGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(18)17-14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
N-(2,4-dimethoxyphenyl)-4-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 710605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).