2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

C21H25ClN4O3 — CID 8779934

IUPAC2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25ClN4O3/c1-3-26(13-20(28)23-12-16-4-6-17(22)7-5-16)14-21(29)25-19-10-8-18(9-11-19)24-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyOYJMTVIIAFPCCJ-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.88
Rot. Bonds9

About 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 8779934) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID8779934
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25ClN4O3/c1-3-26(13-20(28)23-12-16-4-6-17(22)7-5-16)14-21(29)25-19-10-8-18(9-11-19)24-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyOYJMTVIIAFPCCJ-UHFFFAOYSA-N
XLogP2.88
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8796001
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779826
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087872
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (CID 8779934) is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is OYJMTVIIAFPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-3-26(13-20(28)23-12-16-4-6-17(22)7-5-16)14-21(29)25-19-10-8-18(9-11-19)24-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 416.91 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8779934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).