(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide

C20H18N2O4 — CID 117055084

IUPAC(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18(12-11-15-7-3-1-4-8-15)21-17(16-9-5-2-6-10-16)13-22-19(24)14-26-20(22)25/h1-12,17H,13-14H2,(H,21,23)/b12-11+
InChIKeyHRJFMRGTLMKIQV-VAWYXSNFSA-N
MW350.37 g/mol
LogP2.54
Rot. Bonds6

About (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide

(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide (PubChem CID 117055084) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
PubChem CID117055084
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18(12-11-15-7-3-1-4-8-15)21-17(16-9-5-2-6-10-16)13-22-19(24)14-26-20(22)25/h1-12,17H,13-14H2,(H,21,23)/b12-11+
InChIKeyHRJFMRGTLMKIQV-VAWYXSNFSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.54
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

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]furan-2-carboxamide
CID 99999145
N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 100706732
2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
CID 100706838
(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148657
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91630056
3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
CID 91630060
(E)-3-(1,3-benzodioxol-5-yl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 121176257
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]prop-2-enamide
CID 55749846
(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144809

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide (CID 117055084) is (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC(CN1C(=O)COC1=O)c1ccccc1.
What is the InChIKey of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?
The InChIKey is HRJFMRGTLMKIQV-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(12-11-15-7-3-1-4-8-15)21-17(16-9-5-2-6-10-16)13-22-19(24)14-26-20(22)25/h1-12,17H,13-14H2,(H,21,23)/b12-11+.
What are the key properties of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide has a molecular weight of 350.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 117055084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).