N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide

C24H23NO3 — CID 1068398

IUPACN-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-15-13-16(2)22(17(3)14-15)23(26)18-5-7-19(8-6-18)24(27)25-20-9-11-21(28-4)12-10-20/h5-14H,1-4H3,(H,25,27)
InChIKeyMMWYFSKPWZEGSX-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.10
Rot. Bonds5

About N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide

N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide (PubChem CID 1068398) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
PubChem CID1068398
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC NameN-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-15-13-16(2)22(17(3)14-15)23(26)18-5-7-19(8-6-18)24(27)25-20-9-11-21(28-4)12-10-20/h5-14H,1-4H3,(H,25,27)
InChIKeyMMWYFSKPWZEGSX-UHFFFAOYSA-N
XLogP5.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide (CID 1068398) is N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide is COc1ccc(NC(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide?
The InChIKey is MMWYFSKPWZEGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-15-13-16(2)22(17(3)14-15)23(26)18-5-7-19(8-6-18)24(27)25-20-9-11-21(28-4)12-10-20/h5-14H,1-4H3,(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide?
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide has a molecular weight of 373.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide is sourced from PubChem (CID 1068398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).