2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide

C21H32N4O3 — CID 51171048

IUPAC2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C21H32N4O3/c1-4-25(15(2)21(28)24-17-8-6-5-7-9-17)14-20(27)23-19-12-10-18(11-13-19)22-16(3)26/h10-13,15,17H,4-9,14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyFQTWGEACUUHMND-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.74
Rot. Bonds8

About 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide (PubChem CID 51171048) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
PubChem CID51171048
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C21H32N4O3/c1-4-25(15(2)21(28)24-17-8-6-5-7-9-17)14-20(27)23-19-12-10-18(11-13-19)22-16(3)26/h10-13,15,17H,4-9,14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyFQTWGEACUUHMND-UHFFFAOYSA-N
XLogP2.74
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11933178
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933385
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813756
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide (CID 51171048) is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide?
The InChIKey is FQTWGEACUUHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-4-25(15(2)21(28)24-17-8-6-5-7-9-17)14-20(27)23-19-12-10-18(11-13-19)22-16(3)26/h10-13,15,17H,4-9,14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide?
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide has a molecular weight of 388.51 g/mol, XLogP of 2.74, 8 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-cyclohexylpropanamide is sourced from PubChem (CID 51171048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).