[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate

C21H25NO4 — CID 9011270

IUPAC[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-15(2)17-6-4-16(5-7-17)12-13-22-20(23)14-26-21(24)18-8-10-19(25-3)11-9-18/h4-11,15H,12-14H2,1-3H3,(H,22,23)
InChIKeyOVLBPFSJDJKHDP-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.33
Rot. Bonds8

About [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate (PubChem CID 9011270) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
PubChem CID9011270
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-15(2)17-6-4-16(5-7-17)12-13-22-20(23)14-26-21(24)18-8-10-19(25-3)11-9-18/h4-11,15H,12-14H2,1-3H3,(H,22,23)
InChIKeyOVLBPFSJDJKHDP-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 40666503
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386542
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744442
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9490700
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 46607894
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 8612523
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556909
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-methyl-4-nitrobenzoate
CID 9199295

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate?
The IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate (CID 9011270) is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate?
The InChIKey is OVLBPFSJDJKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(2)17-6-4-16(5-7-17)12-13-22-20(23)14-26-21(24)18-8-10-19(25-3)11-9-18/h4-11,15H,12-14H2,1-3H3,(H,22,23).
What are the key properties of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate?
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate has a molecular weight of 355.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate is sourced from PubChem (CID 9011270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).