[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate

C20H23NO4 — CID 9197497

IUPAC[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCCc1ccccc1C
InChIInChI=1S/C20H23NO4/c1-3-24-18-11-7-6-10-17(18)20(23)25-14-19(22)21-13-12-16-9-5-4-8-15(16)2/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyLQWDHGKIZJTADD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.91
Rot. Bonds8

About [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 9197497) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID9197497
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCCc1ccccc1C
InChIInChI=1S/C20H23NO4/c1-3-24-18-11-7-6-10-17(18)20(23)25-14-19(22)21-13-12-16-9-5-4-8-15(16)2/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyLQWDHGKIZJTADD-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197473
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8540007
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 9492099
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8987534
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806754
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203338
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203446

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate (CID 9197497) is [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)NCCc1ccccc1C.
What is the InChIKey of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is LQWDHGKIZJTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-24-18-11-7-6-10-17(18)20(23)25-14-19(22)21-13-12-16-9-5-4-8-15(16)2/h4-11H,3,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 9197497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).