3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide

C23H28N4O4 — CID 24588858

IUPAC3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H28N4O4/c1-4-27(14-13-22(30)25-20-7-5-18(6-8-20)16(2)28)15-23(31)26-21-11-9-19(10-12-21)24-17(3)29/h5-12H,4,13-15H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyGTKAUUSTJCCEGY-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.14
Rot. Bonds10

About 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide

3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide (PubChem CID 24588858) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
PubChem CID24588858
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H28N4O4/c1-4-27(14-13-22(30)25-20-7-5-18(6-8-20)16(2)28)15-23(31)26-21-11-9-19(10-12-21)24-17(3)29/h5-12H,4,13-15H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyGTKAUUSTJCCEGY-UHFFFAOYSA-N
XLogP3.14
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 55482287
N-(4-acetylphenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 110935819
4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638223
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
CID 50955133
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
CID 56525325
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide?
The IUPAC name of 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide (CID 24588858) is 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide.
What is the SMILES notation for 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide?
The canonical SMILES for 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide is CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide?
The InChIKey is GTKAUUSTJCCEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-4-27(14-13-22(30)25-20-7-5-18(6-8-20)16(2)28)15-23(31)26-21-11-9-19(10-12-21)24-17(3)29/h5-12H,4,13-15H2,1-3H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide?
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide has a molecular weight of 424.50 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide is sourced from PubChem (CID 24588858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).