[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium

C23H37N4O3+ — CID 8779683

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
SMILESCCN(C(=O)[C@@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1)C1CCCCC1
InChIInChI=1S/C23H36N4O3/c1-5-26(17(3)23(30)27(6-2)21-10-8-7-9-11-21)16-22(29)25-20-14-12-19(13-15-20)24-18(4)28/h12-15,17,21H,5-11,16H2,1-4H3,(H,24,28)(H,25,29)/p+1/t17-/m1/s1
InChIKeyIXZIHABNIWNBNU-QGZVFWFLSA-O
MW417.57 g/mol
LogP2.06
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium (PubChem CID 8779683) has the molecular formula C23H37N4O3+ and a molecular weight of 417.57 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
PubChem CID8779683
Molecular FormulaC23H37N4O3+
Molecular Weight417.57 g/mol
Exact Mass417.29
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
SMILESCCN(C(=O)[C@@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1)C1CCCCC1
InChIInChI=1S/C23H36N4O3/c1-5-26(17(3)23(30)27(6-2)21-10-8-7-9-11-21)16-22(29)25-20-14-12-19(13-15-20)24-18(4)28/h12-15,17,21H,5-11,16H2,1-4H3,(H,24,28)(H,25,29)/p+1/t17-/m1/s1
InChIKeyIXZIHABNIWNBNU-QGZVFWFLSA-O
XLogP2.06
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylazanium
CID 11933173
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779685
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8755007
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
CID 8791451
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
CID 8791369
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 11935746

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium (CID 8779683) is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium is CCN(C(=O)[C@@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1)C1CCCCC1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
The InChIKey is IXZIHABNIWNBNU-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H36N4O3/c1-5-26(17(3)23(30)27(6-2)21-10-8-7-9-11-21)16-22(29)25-20-14-12-19(13-15-20)24-18(4)28/h12-15,17,21H,5-11,16H2,1-4H3,(H,24,28)(H,25,29)/p+1/t17-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium has a molecular weight of 417.57 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium is sourced from PubChem (CID 8779683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).