[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate

C23H19NO4 — CID 7860923

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H19NO4/c25-22(17-27-23(26)16-15-18-9-3-1-4-10-18)24-20-13-7-8-14-21(20)28-19-11-5-2-6-12-19/h1-16H,17H2,(H,24,25)/b16-15+
InChIKeyVXWFHZOBTFUDPA-FOCLMDBBSA-N
MW373.41 g/mol
LogP4.67
Rot. Bonds7

About [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate

[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate (PubChem CID 7860923) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate
PubChem CID7860923
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H19NO4/c25-22(17-27-23(26)16-15-18-9-3-1-4-10-18)24-20-13-7-8-14-21(20)28-19-11-5-2-6-12-19/h1-16H,17H2,(H,24,25)/b16-15+
InChIKeyVXWFHZOBTFUDPA-FOCLMDBBSA-N
XLogP4.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509097
[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 9010901
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (E)-3-phenylprop-2-enoate
CID 2509246
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 3-phenylprop-2-enoate
CID 3692079
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2630002
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 35777999
cis-[2-oxo-2-(2-phenoxyanilino)ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2355096
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509224
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860744
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
[2-(naphthalen-1-ylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 1410053

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate (CID 7860923) is [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is VXWFHZOBTFUDPA-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(17-27-23(26)16-15-18-9-3-1-4-10-18)24-20-13-7-8-14-21(20)28-19-11-5-2-6-12-19/h1-16H,17H2,(H,24,25)/b16-15+.
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate?
[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 373.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 7860923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).