[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate

C20H23NO4 — CID 50929606

IUPAC[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NC(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C20H23NO4/c1-4-15-8-10-16(11-9-15)20(23)25-13-19(22)21-14(2)17-6-5-7-18(12-17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyLJDJUZBWXRPIPF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.29
Rot. Bonds7

About [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate

[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate (PubChem CID 50929606) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
PubChem CID50929606
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NC(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C20H23NO4/c1-4-15-8-10-16(11-9-15)20(23)25-13-19(22)21-14(2)17-6-5-7-18(12-17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyLJDJUZBWXRPIPF-UHFFFAOYSA-N
XLogP3.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 95181203
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 50929744
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881831
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8529508
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate (CID 50929606) is [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NC(C)c2cccc(OC)c2)cc1.
What is the InChIKey of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is LJDJUZBWXRPIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-15-8-10-16(11-9-15)20(23)25-13-19(22)21-14(2)17-6-5-7-18(12-17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 50929606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).