(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium

C21H29N2O2+ — CID 9265127

IUPAC(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
SMILESCOc1ccc(C[NH+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H28N2O2/c1-14-11-15(2)20(16(3)12-14)22-21(24)17(4)23(5)13-18-7-9-19(25-6)10-8-18/h7-12,17H,13H2,1-6H3,(H,22,24)/p+1/t17-/m0/s1
InChIKeyOZJPWKIZVIVSQY-KRWDZBQOSA-O
MW341.48 g/mol
LogP2.66
Rot. Bonds6

About (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium

(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium (PubChem CID 9265127) has the molecular formula C21H29N2O2+ and a molecular weight of 341.48 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
PubChem CID9265127
Molecular FormulaC21H29N2O2+
Molecular Weight341.48 g/mol
Exact Mass341.22
IUPAC Name(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
SMILESCOc1ccc(C[NH+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H28N2O2/c1-14-11-15(2)20(16(3)12-14)22-21(24)17(4)23(5)13-18-7-9-19(25-6)10-8-18/h7-12,17H,13H2,1-6H3,(H,22,24)/p+1/t17-/m0/s1
InChIKeyOZJPWKIZVIVSQY-KRWDZBQOSA-O
XLogP2.66
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 8770583
(3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 8516271
(2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9045864
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9027123
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054076
(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8925295
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494768
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054254
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9049949
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium (CID 9265127) is (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium is COc1ccc(C[NH+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
The InChIKey is OZJPWKIZVIVSQY-KRWDZBQOSA-O. The full InChI is InChI=1S/C21H28N2O2/c1-14-11-15(2)20(16(3)12-14)22-21(24)17(4)23(5)13-18-7-9-19(25-6)10-8-18/h7-12,17H,13H2,1-6H3,(H,22,24)/p+1/t17-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium has a molecular weight of 341.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium is sourced from PubChem (CID 9265127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).