ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium

C16H26N3O2+ — CID 9433236

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-5-17-15(20)12-19(6-2)13(3)16(21)18(4)14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3,(H,17,20)/p+1/t13-/m0/s1
InChIKeyNKVYZYSAMGBCRT-ZDUSSCGKSA-O
MW292.40 g/mol
LogP0.08
Rot. Bonds7

About ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium (PubChem CID 9433236) has the molecular formula C16H26N3O2+ and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium
PubChem CID9433236
Molecular FormulaC16H26N3O2+
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-5-17-15(20)12-19(6-2)13(3)16(21)18(4)14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3,(H,17,20)/p+1/t13-/m0/s1
InChIKeyNKVYZYSAMGBCRT-ZDUSSCGKSA-O
XLogP0.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 9433216
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8682748
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779685
methyl-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123506
(2R)-N-methyl-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 9049639
2-butylsulfanyl-N-methyl-N-phenylpropanamide
CID 78762085
ethyl-[2-(ethylamino)-2-oxoethyl]-[(1S)-1-(3-nitrophenyl)ethyl]azanium
CID 8683690
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide
CID 67173755
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
CID 68882246

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium (CID 9433236) is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium is CCNC(=O)C[NH+](CC)[C@@H](C)C(=O)N(C)c1ccccc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is NKVYZYSAMGBCRT-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-15(20)12-19(6-2)13(3)16(21)18(4)14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3,(H,17,20)/p+1/t13-/m0/s1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 292.40 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9433236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).