2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C28H30N2O3 — CID 36835377

IUPAC2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C28H30N2O3/c1-17-13-20(4)26(21(5)14-17)29-25(31)16-30(6)28(33)24-10-8-7-9-23(24)27(32)22-12-11-18(2)19(3)15-22/h7-15H,16H2,1-6H3,(H,29,31)
InChIKeyYWRHWNKWPJRZMA-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.17
Rot. Bonds6

About 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 36835377) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID36835377
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C28H30N2O3/c1-17-13-20(4)26(21(5)14-17)29-25(31)16-30(6)28(33)24-10-8-7-9-23(24)27(32)22-12-11-18(2)19(3)15-22/h7-15H,16H2,1-6H3,(H,29,31)
InChIKeyYWRHWNKWPJRZMA-UHFFFAOYSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide with MolForge

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Related Compounds

2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835375
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(trifluoromethyl)benzamide
CID 27783992
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55736891
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 39920536
2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 32615829

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 36835377) is 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is YWRHWNKWPJRZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-17-13-20(4)26(21(5)14-17)29-25(31)16-30(6)28(33)24-10-8-7-9-23(24)27(32)22-12-11-18(2)19(3)15-22/h7-15H,16H2,1-6H3,(H,29,31).
What are the key properties of 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 36835377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).