4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

C21H26N2O2 — CID 40728961

IUPAC4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-6-12-18(13-7-15)22-19(24)14-23(5)20(25)16-8-10-17(11-9-16)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,24)
InChIKeyLTRFLUFXHVPYGD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.00
Rot. Bonds4

About 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 40728961) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
PubChem CID40728961
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-6-12-18(13-7-15)22-19(24)14-23(5)20(25)16-8-10-17(11-9-16)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,24)
InChIKeyLTRFLUFXHVPYGD-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
CID 4030783
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 38005582
4-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-sulfamoylbenzamide
CID 9493763
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51320683
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 26667345
4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
CID 9493691

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (CID 40728961) is 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is LTRFLUFXHVPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-12-18(13-7-15)22-19(24)14-23(5)20(25)16-8-10-17(11-9-16)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 40728961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).