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

C19H21NO4 — CID 46860550

IUPAC[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate
SMILESCOc1ccc(C(C)NC(=O)COC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-13-5-4-6-16(11-13)19(22)24-12-18(21)20-14(2)15-7-9-17(23-3)10-8-15/h4-11,14H,12H2,1-3H3,(H,20,21)
InChIKeyHVZMHXCJOIMHLB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds6

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

[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate (PubChem CID 46860550) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate.

Molecular Properties

Compound Name[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate
PubChem CID46860550
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate
SMILESCOc1ccc(C(C)NC(=O)COC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-13-5-4-6-16(11-13)19(22)24-12-18(21)20-14(2)15-7-9-17(23-3)10-8-15/h4-11,14H,12H2,1-3H3,(H,20,21)
InChIKeyHVZMHXCJOIMHLB-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860665
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290592
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 7382117
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methoxybenzoate
CID 9019237
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 95181082
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 46860579
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290575
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 46924888
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 95181099
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 95181177
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 50929640

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate?
The IUPAC name of [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate (CID 46860550) is [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate.
What is the SMILES notation for [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate?
The canonical SMILES for [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate is COc1ccc(C(C)NC(=O)COC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate?
The InChIKey is HVZMHXCJOIMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-5-4-6-16(11-13)19(22)24-12-18(21)20-14(2)15-7-9-17(23-3)10-8-15/h4-11,14H,12H2,1-3H3,(H,20,21).
What are the key properties of [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate?
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylbenzoate is sourced from PubChem (CID 46860550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).