N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide

C18H20N2O4 — CID 110763407

IUPACN-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1C
InChIInChI=1S/C18H20N2O4/c1-11-16(23-3)10-9-15(17(11)24-4)18(22)20-14-7-5-13(6-8-14)19-12(2)21/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyYPFYAGYDJRWWKP-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.22
Rot. Bonds5

About N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide

N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide (PubChem CID 110763407) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
PubChem CID110763407
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1C
InChIInChI=1S/C18H20N2O4/c1-11-16(23-3)10-9-15(17(11)24-4)18(22)20-14-7-5-13(6-8-14)19-12(2)21/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyYPFYAGYDJRWWKP-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide (CID 110763407) is N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide is COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1C.
What is the InChIKey of N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide?
The InChIKey is YPFYAGYDJRWWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-16(23-3)10-9-15(17(11)24-4)18(22)20-14-7-5-13(6-8-14)19-12(2)21/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide?
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide is sourced from PubChem (CID 110763407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).