[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

C19H18FNO3 — CID 6057439

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESCC(NC(=O)COC(=O)/C=C/c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H18FNO3/c1-14(16-7-3-2-4-8-16)21-18(22)13-24-19(23)11-10-15-6-5-9-17(20)12-15/h2-12,14H,13H2,1H3,(H,21,22)/b11-10+
InChIKeyBLBZNEQYYWANJR-ZHACJKMWSA-N
MW327.36 g/mol
LogP3.26
Rot. Bonds6

About [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 6057439) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID6057439
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESCC(NC(=O)COC(=O)/C=C/c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H18FNO3/c1-14(16-7-3-2-4-8-16)21-18(22)13-24-19(23)11-10-15-6-5-9-17(20)12-15/h2-12,14H,13H2,1H3,(H,21,22)/b11-10+
InChIKeyBLBZNEQYYWANJR-ZHACJKMWSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2097084
2-(cyclopentylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2355331
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 16249897
N-(diphenylmethyl)-2-methoxyacetamide
CID 798780
[2-(Benzylamino)-2-oxoethyl] 2-methylprop-2-enoate
CID 2447792
2-oxo-N-(1-phenylethyl)-2H-pyran-5-carboxamide
CID 660747
2-[(2-chlorobenzyl)amino]-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2342864
[2-(benzylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2348156
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358073
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358436
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
[2-(benzhydrylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2405218

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (CID 6057439) is [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is CC(NC(=O)COC(=O)/C=C/c1cccc(F)c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is BLBZNEQYYWANJR-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-14(16-7-3-2-4-8-16)21-18(22)13-24-19(23)11-10-15-6-5-9-17(20)12-15/h2-12,14H,13H2,1H3,(H,21,22)/b11-10+.
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 327.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 6057439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).