4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide

C22H28N2O2 — CID 113002146

IUPAC4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide
SMILESCCN(C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-6-24(19-9-7-8-16(2)14-19)20(25)15-23-21(26)17-10-12-18(13-11-17)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,23,26)
InChIKeyIWLZQPKFGQHHKO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.08
Rot. Bonds5

About 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide (PubChem CID 113002146) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide
PubChem CID113002146
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide
SMILESCCN(C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-6-24(19-9-7-8-16(2)14-19)20(25)15-23-21(26)17-10-12-18(13-11-17)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,23,26)
InChIKeyIWLZQPKFGQHHKO-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113002162
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113002201
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide (CID 113002146) is 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide is CCN(C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is IWLZQPKFGQHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-24(19-9-7-8-16(2)14-19)20(25)15-23-21(26)17-10-12-18(13-11-17)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,23,26).
What are the key properties of 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 113002146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).