[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C25H29N2O+ — CID 9392931

IUPAC[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O/c1-17-10-12-22(13-11-17)25(21-8-6-5-7-9-21)26-16-23(28)27-24-19(3)14-18(2)15-20(24)4/h5-15,25-26H,16H2,1-4H3,(H,27,28)/p+1/t25-/m1/s1
InChIKeyLTXMFHMBDCGYHT-RUZDIDTESA-O
MW373.52 g/mol
LogP4.21
Rot. Bonds6

About [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9392931) has the molecular formula C25H29N2O+ and a molecular weight of 373.52 g/mol. Its IUPAC name is [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9392931
Molecular FormulaC25H29N2O+
Molecular Weight373.52 g/mol
Exact Mass373.23
IUPAC Name[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O/c1-17-10-12-22(13-11-17)25(21-8-6-5-7-9-21)26-16-23(28)27-24-19(3)14-18(2)15-20(24)4/h5-15,25-26H,16H2,1-4H3,(H,27,28)/p+1/t25-/m1/s1
InChIKeyLTXMFHMBDCGYHT-RUZDIDTESA-O
XLogP4.21
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641344
[2-(benzylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392768
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393379
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719920
(2S)-4-oxo-2-phenyl-4-(2,4,6-trimethylanilino)butanoic acid
CID 40808566
[(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8641259

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9392931) is [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is Cc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)cc1.
What is the InChIKey of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is LTXMFHMBDCGYHT-RUZDIDTESA-O. The full InChI is InChI=1S/C25H28N2O/c1-17-10-12-22(13-11-17)25(21-8-6-5-7-9-21)26-16-23(28)27-24-19(3)14-18(2)15-20(24)4/h5-15,25-26H,16H2,1-4H3,(H,27,28)/p+1/t25-/m1/s1.
What are the key properties of [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 373.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9392931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).