N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide

C23H29N3O3 — CID 78787959

IUPACN-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H29N3O3/c1-5-14-26(15-22(28)25-21-9-7-6-8-16(21)2)17(3)23(29)24-20-12-10-19(11-13-20)18(4)27/h6-13,17H,5,14-15H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyPENKVIABNWAVAW-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.88
Rot. Bonds9

About N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide

N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide (PubChem CID 78787959) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
PubChem CID78787959
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H29N3O3/c1-5-14-26(15-22(28)25-21-9-7-6-8-16(21)2)17(3)23(29)24-20-12-10-19(11-13-20)18(4)27/h6-13,17H,5,14-15H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyPENKVIABNWAVAW-UHFFFAOYSA-N
XLogP3.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 78840464
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78817210
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide (CID 78787959) is N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide is CCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The InChIKey is PENKVIABNWAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-14-26(15-22(28)25-21-9-7-6-8-16(21)2)17(3)23(29)24-20-12-10-19(11-13-20)18(4)27/h6-13,17H,5,14-15H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide is sourced from PubChem (CID 78787959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).