[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate

C19H18N2O4 — CID 2508864

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H18N2O4/c22-17(21-19(24)20-13-16-9-5-2-6-10-16)14-25-18(23)12-11-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,20,21,22,24)/b12-11+
InChIKeyYQGZCBAVGXNHBO-VAWYXSNFSA-N
MW338.36 g/mol
LogP2.27
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate

[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate (PubChem CID 2508864) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
PubChem CID2508864
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H18N2O4/c22-17(21-19(24)20-13-16-9-5-2-6-10-16)14-25-18(23)12-11-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,20,21,22,24)/b12-11+
InChIKeyYQGZCBAVGXNHBO-VAWYXSNFSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(Benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 3889313
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
CID 8900672
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 16249897
[2-(benzylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2348156
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
2-(cyclohexylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2509328
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2512193
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6213410
bis[2-(benzylamino)-2-oxoethyl] (E)-2-methylbut-2-enedioate
CID 6391584
4-O-[2-(benzylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6393417
[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate
CID 118706168
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2629715

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate (CID 2508864) is [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is YQGZCBAVGXNHBO-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(21-19(24)20-13-16-9-5-2-6-10-16)14-25-18(23)12-11-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,20,21,22,24)/b12-11+.
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 338.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 2508864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).