2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate

C15H18N2O4 — CID 70154494

IUPAC2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-2-16-15(20)21-11-10-17-14(19)13(18)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,20)(H,17,19)/b9-8+
InChIKeyFIOGNKJGFTWSMF-CMDGGOBGSA-N
MW290.32 g/mol
LogP1.13
Rot. Bonds7

About 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate

2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate (PubChem CID 70154494) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate
PubChem CID70154494
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCNC(=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-2-16-15(20)21-11-10-17-14(19)13(18)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,20)(H,17,19)/b9-8+
InChIKeyFIOGNKJGFTWSMF-CMDGGOBGSA-N
XLogP1.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
CID 70156317
1-ethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 6247630
2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
CID 172634996
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-phenylprop-2-enamide;hydrochloride
CID 169083645
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
(E)-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 67097750
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 77225367
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
CID 70158495

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate?
The IUPAC name of 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate (CID 70154494) is 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate is CCNC(=O)OCCNC(=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate?
The InChIKey is FIOGNKJGFTWSMF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-16-15(20)21-11-10-17-14(19)13(18)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,20)(H,17,19)/b9-8+.
What are the key properties of 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate?
2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate has a molecular weight of 290.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-oxo-4-phenylbut-3-enoyl]amino]ethyl N-ethylcarbamate is sourced from PubChem (CID 70154494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).