[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate

C24H23NO4 — CID 7760857

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-17(2)18-12-14-19(15-13-18)25-23(26)16-28-24(27)21-10-6-7-11-22(21)29-20-8-4-3-5-9-20/h3-15,17H,16H2,1-2H3,(H,25,26)
InChIKeyNFPGVQSPAPAERA-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.40
Rot. Bonds7

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate (PubChem CID 7760857) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
PubChem CID7760857
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-17(2)18-12-14-19(15-13-18)25-23(26)16-28-24(27)21-10-6-7-11-22(21)29-20-8-4-3-5-9-20/h3-15,17H,16H2,1-2H3,(H,25,26)
InChIKeyNFPGVQSPAPAERA-UHFFFAOYSA-N
XLogP5.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498662
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454502
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,3-dimethylbenzoate
CID 7765240
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 7760656
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-phenoxybenzoate
CID 2346206
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
CID 7586714
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate (CID 7760857) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate is CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate?
The InChIKey is NFPGVQSPAPAERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(2)18-12-14-19(15-13-18)25-23(26)16-28-24(27)21-10-6-7-11-22(21)29-20-8-4-3-5-9-20/h3-15,17H,16H2,1-2H3,(H,25,26).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate has a molecular weight of 389.45 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate is sourced from PubChem (CID 7760857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).