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

C21H26N4O3 — CID 54835003

IUPAC4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-14(26)23-17-9-11-18(12-10-17)24-19(27)13-22-16-7-5-15(6-8-16)20(28)25-21(2,3)4/h5-12,22H,13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyIOCSYAJOAIQHQG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds6

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

4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54835003) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54835003
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-14(26)23-17-9-11-18(12-10-17)24-19(27)13-22-16-7-5-15(6-8-16)20(28)25-21(2,3)4/h5-12,22H,13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyIOCSYAJOAIQHQG-UHFFFAOYSA-N
XLogP3.22
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
2-(4-acetamidoanilino)-N-tert-butylacetamide
CID 28567256
N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 31699865
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54835003) is 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide is CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is IOCSYAJOAIQHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(26)23-17-9-11-18(12-10-17)24-19(27)13-22-16-7-5-15(6-8-16)20(28)25-21(2,3)4/h5-12,22H,13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54835003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).