[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate

C19H20N2O4 — CID 2582048

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-13-6-8-15(9-7-13)11-20-18(23)12-25-19(24)16-4-3-5-17(10-16)21-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAWURQXACWFZUSK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.43
Rot. Bonds6

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2582048) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2582048
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-13-6-8-15(9-7-13)11-20-18(23)12-25-19(24)16-4-3-5-17(10-16)21-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAWURQXACWFZUSK-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582191
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821139
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 42970130
ethyl 3-acetamidobenzoate
CID 700589
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491527
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 28566936

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate (CID 2582048) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is AWURQXACWFZUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-6-8-15(9-7-13)11-20-18(23)12-25-19(24)16-4-3-5-17(10-16)21-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2582048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).