(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide

C18H16N2O3 — CID 173273877

IUPAC(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
SMILESO=CCN(C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-14-13-20(18(23)19-16-9-5-2-6-10-16)17(22)12-11-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,19,23)/b12-11+
InChIKeyKJPMGOHYNKDRCE-VAWYXSNFSA-N
MW308.34 g/mol
LogP2.96
Rot. Bonds5

About (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide

(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide (PubChem CID 173273877) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
PubChem CID173273877
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
SMILESO=CCN(C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-14-13-20(18(23)19-16-9-5-2-6-10-16)17(22)12-11-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,19,23)/b12-11+
InChIKeyKJPMGOHYNKDRCE-VAWYXSNFSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
CID 173273881
N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54287493
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
CID 173273840
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide (CID 173273877) is (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide is O=CCN(C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
The InChIKey is KJPMGOHYNKDRCE-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-14-13-20(18(23)19-16-9-5-2-6-10-16)17(22)12-11-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,19,23)/b12-11+.
What are the key properties of (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide?
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 173273877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).