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

C20H26ClN2O+ — CID 8636263

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
SMILESCC[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H25ClN2O/c1-4-19(17-7-5-14(2)6-8-17)23-20(24)13-22-15(3)16-9-11-18(21)12-10-16/h5-12,15,19,22H,4,13H2,1-3H3,(H,23,24)/p+1/t15-,19+/m1/s1
InChIKeyQETGUHCGIFNUNE-BEFAXECRSA-O
MW345.89 g/mol
LogP3.54
Rot. Bonds7

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

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium (PubChem CID 8636263) has the molecular formula C20H26ClN2O+ and a molecular weight of 345.89 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
PubChem CID8636263
Molecular FormulaC20H26ClN2O+
Molecular Weight345.89 g/mol
Exact Mass345.17
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
SMILESCC[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H25ClN2O/c1-4-19(17-7-5-14(2)6-8-17)23-20(24)13-22-15(3)16-9-11-18(21)12-10-16/h5-12,15,19,22H,4,13H2,1-3H3,(H,23,24)/p+1/t15-,19+/m1/s1
InChIKeyQETGUHCGIFNUNE-BEFAXECRSA-O
XLogP3.54
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9335122
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335230
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335785
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28567843

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium (CID 8636263) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium is CC[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium?
The InChIKey is QETGUHCGIFNUNE-BEFAXECRSA-O. The full InChI is InChI=1S/C20H25ClN2O/c1-4-19(17-7-5-14(2)6-8-17)23-20(24)13-22-15(3)16-9-11-18(21)12-10-16/h5-12,15,19,22H,4,13H2,1-3H3,(H,23,24)/p+1/t15-,19+/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium has a molecular weight of 345.89 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8636263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).