[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate

C17H17NO4 — CID 2498337

IUPAC[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C17H17NO4/c1-2-18-16(19)12-21-17(20)14-10-6-7-11-15(14)22-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyBWUPJEHVSDUGOG-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.77
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate

[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2498337) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2498337
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C17H17NO4/c1-2-18-16(19)12-21-17(20)14-10-6-7-11-15(14)22-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyBWUPJEHVSDUGOG-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 9199889
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498662
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454502
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-phenoxybenzoate
CID 16595936
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 7760656
[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
CID 2591123
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498230

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate (CID 2498337) is [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate is CCNC(=O)COC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is BWUPJEHVSDUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-18-16(19)12-21-17(20)14-10-6-7-11-15(14)22-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate?
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 299.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2498337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).