[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate

C19H21NO4 — CID 2521886

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-23-17-10-8-16(9-11-17)19(22)24-13-18(21)20-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyZJGNIEHVNLJROR-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 2521886) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
PubChem CID2521886
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-23-17-10-8-16(9-11-17)19(22)24-13-18(21)20-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyZJGNIEHVNLJROR-UHFFFAOYSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-bromophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 71820592
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519187
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 33106855
ethyl 4-[[(4-methylphenoxy)methylcarbamoylamino]methyl]benzoate
CID 108893112
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 50929640
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 95181177
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580848
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate (CID 2521886) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is ZJGNIEHVNLJROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-23-17-10-8-16(9-11-17)19(22)24-13-18(21)20-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 327.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 2521886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).