[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

C19H24ClN2O+ — CID 8963788

IUPAC[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-14-6-4-5-7-17(14)12-22(3)13-19(23)21-15(2)16-8-10-18(20)11-9-16/h4-11,15H,12-13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyOGTSCHHXGNJTPV-HNNXBMFYSA-O
MW331.87 g/mol
LogP2.54
Rot. Bonds6

About [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8963788) has the molecular formula C19H24ClN2O+ and a molecular weight of 331.87 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8963788
Molecular FormulaC19H24ClN2O+
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-14-6-4-5-7-17(14)12-22(3)13-19(23)21-15(2)16-8-10-18(20)11-9-16/h4-11,15H,12-13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyOGTSCHHXGNJTPV-HNNXBMFYSA-O
XLogP2.54
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium with MolForge

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Related Compounds

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024529
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805702
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102608
[2-(2-chloroanilino)-2-oxoethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 9036956
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105317
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124780
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038373
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 8963788) is [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is OGTSCHHXGNJTPV-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H23ClN2O/c1-14-6-4-5-7-17(14)12-22(3)13-19(23)21-15(2)16-8-10-18(20)11-9-16/h4-11,15H,12-13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 331.87 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8963788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).