[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate

C19H21NO4 — CID 46860529

IUPAC[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
SMILESCCc1ccc(CNC(=O)COC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H21NO4/c1-3-14-7-9-15(10-8-14)12-20-18(21)13-24-19(22)16-5-4-6-17(11-16)23-2/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyMBEPFIJWRUSBQP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds7

About [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate

[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate (PubChem CID 46860529) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
PubChem CID46860529
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
SMILESCCc1ccc(CNC(=O)COC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H21NO4/c1-3-14-7-9-15(10-8-14)12-20-18(21)13-24-19(22)16-5-4-6-17(11-16)23-2/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyMBEPFIJWRUSBQP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-bromophenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860539
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260858
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506159
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516189
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563668
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512730
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968009
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875944
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960612

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate?
The IUPAC name of [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate (CID 46860529) is [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate?
The canonical SMILES for [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate is CCc1ccc(CNC(=O)COC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate?
The InChIKey is MBEPFIJWRUSBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-14-7-9-15(10-8-14)12-20-18(21)13-24-19(22)16-5-4-6-17(11-16)23-2/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate?
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate has a molecular weight of 327.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate is sourced from PubChem (CID 46860529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).