[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate

C20H20N2O6 — CID 38909124

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCC(N)=O)cc1
InChIInChI=1S/C20H20N2O6/c1-2-19(25)22-14-9-7-13(8-10-14)16(23)11-28-20(26)15-5-3-4-6-17(15)27-12-18(21)24/h3-10H,2,11-12H2,1H3,(H2,21,24)(H,22,25)
InChIKeyDWWGWXFGQCHBQC-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.94
Rot. Bonds9

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 38909124) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID38909124
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCC(N)=O)cc1
InChIInChI=1S/C20H20N2O6/c1-2-19(25)22-14-9-7-13(8-10-14)16(23)11-28-20(26)15-5-3-4-6-17(15)27-12-18(21)24/h3-10H,2,11-12H2,1H3,(H2,21,24)(H,22,25)
InChIKeyDWWGWXFGQCHBQC-UHFFFAOYSA-N
XLogP1.94
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38907890
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16556425
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641393
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate (CID 38909124) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCC(N)=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is DWWGWXFGQCHBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-2-19(25)22-14-9-7-13(8-10-14)16(23)11-28-20(26)15-5-3-4-6-17(15)27-12-18(21)24/h3-10H,2,11-12H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 384.39 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 38909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).