[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

C20H25N2O3+ — CID 8964210

IUPAC[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCOC(=O)c1ccc(CNC(=O)C[NH+](C)Cc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-15-6-4-5-7-18(15)13-22(2)14-19(23)21-12-16-8-10-17(11-9-16)20(24)25-3/h4-11H,12-14H2,1-3H3,(H,21,23)/p+1
InChIKeyZTABOAXJZWFPQV-UHFFFAOYSA-O
MW341.43 g/mol
LogP1.11
Rot. Bonds7

About [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8964210) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8964210
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCOC(=O)c1ccc(CNC(=O)C[NH+](C)Cc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-15-6-4-5-7-18(15)13-22(2)14-19(23)21-12-16-8-10-17(11-9-16)20(24)25-3/h4-11H,12-14H2,1-3H3,(H,21,23)/p+1
InChIKeyZTABOAXJZWFPQV-UHFFFAOYSA-O
XLogP1.11
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium with MolForge

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Related Compounds

methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8791173
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8680598
methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
CID 36776245
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8794486
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9432990
methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8754904
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 8964210) is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is COC(=O)c1ccc(CNC(=O)C[NH+](C)Cc2ccccc2C)cc1.
What is the InChIKey of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is ZTABOAXJZWFPQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-15-6-4-5-7-18(15)13-22(2)14-19(23)21-12-16-8-10-17(11-9-16)20(24)25-3/h4-11H,12-14H2,1-3H3,(H,21,23)/p+1.
What are the key properties of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 341.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8964210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).