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

C26H29N3O2 — CID 55736891

IUPACN-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C26H29N3O2/c1-18-15-19(2)25(20(3)16-18)27-24(30)17-28(4)26(31)22-13-9-10-14-23(22)29(5)21-11-7-6-8-12-21/h6-16H,17H2,1-5H3,(H,27,30)
InChIKeyZSMQLGRIMKPSBI-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.09
Rot. Bonds6

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

N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 55736891) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID55736891
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C26H29N3O2/c1-18-15-19(2)25(20(3)16-18)27-24(30)17-28(4)26(31)22-13-9-10-14-23(22)29(5)21-11-7-6-8-12-21/h6-16H,17H2,1-5H3,(H,27,30)
InChIKeyZSMQLGRIMKPSBI-UHFFFAOYSA-N
XLogP5.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835377
2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835375
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 39920536
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 55736891) is N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2N(C)c2ccccc2)c(C)c1.
What is the InChIKey of N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is ZSMQLGRIMKPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-15-19(2)25(20(3)16-18)27-24(30)17-28(4)26(31)22-13-9-10-14-23(22)29(5)21-11-7-6-8-12-21/h6-16H,17H2,1-5H3,(H,27,30).
What are the key properties of N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 55736891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).