4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide

C26H28N4O3 — CID 54834712

IUPAC4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-26(2,3)30-25(33)19-12-14-20(15-13-19)27-17-23(31)28-21-10-7-11-22(16-21)29-24(32)18-8-5-4-6-9-18/h4-16,27H,17H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyWYTXJGBULOCBER-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.52
Rot. Bonds7

About 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide

4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54834712) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54834712
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-26(2,3)30-25(33)19-12-14-20(15-13-19)27-17-23(31)28-21-10-7-11-22(16-21)29-24(32)18-8-5-4-6-9-18/h4-16,27H,17H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyWYTXJGBULOCBER-UHFFFAOYSA-N
XLogP4.52
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54834712) is 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is WYTXJGBULOCBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-26(2,3)30-25(33)19-12-14-20(15-13-19)27-17-23(31)28-21-10-7-11-22(16-21)29-24(32)18-8-5-4-6-9-18/h4-16,27H,17H2,1-3H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54834712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).