[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium

C17H27N4O3+ — CID 8791503

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)[C@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H26N4O3/c1-5-18-17(24)12(3)21(6-2)11-16(23)20-15-9-7-14(8-10-15)19-13(4)22/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/p+1/t12-/m0/s1
InChIKeyYZECSHMBRXIEKE-LBPRGKRZSA-O
MW335.43 g/mol
LogP0.01
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8791503) has the molecular formula C17H27N4O3+ and a molecular weight of 335.43 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
PubChem CID8791503
Molecular FormulaC17H27N4O3+
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)[C@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H26N4O3/c1-5-18-17(24)12(3)21(6-2)11-16(23)20-15-9-7-14(8-10-15)19-13(4)22/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/p+1/t12-/m0/s1
InChIKeyYZECSHMBRXIEKE-LBPRGKRZSA-O
XLogP0.01
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8779651
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 9433290
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
CID 8791369
[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
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779683
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium
CID 9433196

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium (CID 8791503) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium is CCNC(=O)[C@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is YZECSHMBRXIEKE-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H26N4O3/c1-5-18-17(24)12(3)21(6-2)11-16(23)20-15-9-7-14(8-10-15)19-13(4)22/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/p+1/t12-/m0/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 335.43 g/mol, XLogP of 0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8791503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).