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

C21H26N4O3 — CID 54834565

IUPAC4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-14(26)23-17-6-5-7-18(12-17)24-19(27)13-22-16-10-8-15(9-11-16)20(28)25-21(2,3)4/h5-12,22H,13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyZBCIPAZHWFILGC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds6

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

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54834565) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54834565
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-14(26)23-17-6-5-7-18(12-17)24-19(27)13-22-16-10-8-15(9-11-16)20(28)25-21(2,3)4/h5-12,22H,13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyZBCIPAZHWFILGC-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-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
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
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide
CID 54826253
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54834565) is 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide is CC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is ZBCIPAZHWFILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(26)23-17-6-5-7-18(12-17)24-19(27)13-22-16-10-8-15(9-11-16)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-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-(3-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-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54834565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).