[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate

C20H23NO4 — CID 18073988

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate
SMILESCCCC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-7-15(2)21-19(22)14-24-20(23)16-10-12-18(13-11-16)25-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,21,22)
InChIKeyUMMNYFJFFHYYFR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds8

About [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate

[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate (PubChem CID 18073988) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate
PubChem CID18073988
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate
SMILESCCCC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-7-15(2)21-19(22)14-24-20(23)16-10-12-18(13-11-16)25-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,21,22)
InChIKeyUMMNYFJFFHYYFR-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-pyrrol-1-ylbenzoate
CID 40556660
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-phenoxybenzoate
CID 7838118
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methylbenzoate
CID 6915016
1-O-methyl 4-O-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7521657
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744279
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate (CID 18073988) is [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate is CCCC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate?
The InChIKey is UMMNYFJFFHYYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-7-15(2)21-19(22)14-24-20(23)16-10-12-18(13-11-16)25-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate is sourced from PubChem (CID 18073988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).