[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate

C20H23NO3 — CID 71822824

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
SMILESCc1cccc(CC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-14(2)17-7-9-18(10-8-17)21-19(22)13-24-20(23)12-16-6-4-5-15(3)11-16/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyPWRDOIKRGKGNIN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.84
Rot. Bonds6

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate (PubChem CID 71822824) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
PubChem CID71822824
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
SMILESCc1cccc(CC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-14(2)17-7-9-18(10-8-17)21-19(22)13-24-20(23)12-16-6-4-5-15(3)11-16/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyPWRDOIKRGKGNIN-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
ethyl 2-[[2-[2-(3-methylphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71822818
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113150711
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate (CID 71822824) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate is Cc1cccc(CC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate?
The InChIKey is PWRDOIKRGKGNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)17-7-9-18(10-8-17)21-19(22)13-24-20(23)12-16-6-4-5-15(3)11-16/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate has a molecular weight of 325.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate is sourced from PubChem (CID 71822824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).