[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium

C21H27ClN3O2+ — CID 9036580

IUPAC[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
SMILESCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-4-25(14-17-10-6-5-7-11-17)21(27)16(2)24(3)15-20(26)23-19-13-9-8-12-18(19)22/h5-13,16H,4,14-15H2,1-3H3,(H,23,26)/p+1/t16-/m1/s1
InChIKeyABFMYKPWNUVWKI-MRXNPFEDSA-O
MW388.92 g/mol
LogP2.23
Rot. Bonds8

About [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium

[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9036580) has the molecular formula C21H27ClN3O2+ and a molecular weight of 388.92 g/mol. Its IUPAC name is [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
PubChem CID9036580
Molecular FormulaC21H27ClN3O2+
Molecular Weight388.92 g/mol
Exact Mass388.18
IUPAC Name[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
SMILESCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-4-25(14-17-10-6-5-7-11-17)21(27)16(2)24(3)15-20(26)23-19-13-9-8-12-18(19)22/h5-13,16H,4,14-15H2,1-3H3,(H,23,26)/p+1/t16-/m1/s1
InChIKeyABFMYKPWNUVWKI-MRXNPFEDSA-O
XLogP2.23
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9252927
[2-(2-chloroanilino)-2-oxoethyl]-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 9041416
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779685
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
CID 36853201
[2-(2-chloroanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9036594
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8843041
5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid
CID 3152083
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-2-cyanopropyl]-methylazanium
CID 8843050
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9036627
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8842574

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium (CID 9036580) is [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium is CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is ABFMYKPWNUVWKI-MRXNPFEDSA-O. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-25(14-17-10-6-5-7-11-17)21(27)16(2)24(3)15-20(26)23-19-13-9-8-12-18(19)22/h5-13,16H,4,14-15H2,1-3H3,(H,23,26)/p+1/t16-/m1/s1.
What are the key properties of [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium?
[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 388.92 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9036580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).