N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide

C16H19N3O4 — CID 54287493

IUPACN-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESO=CCN(C(=O)C=Cc1ccccc1)C(=O)NN1CCOCC1
InChIInChI=1S/C16H19N3O4/c20-11-8-19(16(22)17-18-9-12-23-13-10-18)15(21)7-6-14-4-2-1-3-5-14/h1-7,11H,8-10,12-13H2,(H,17,22)
InChIKeyROARVVJFFQAFDW-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.68
Rot. Bonds5

About N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide

N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide (PubChem CID 54287493) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
PubChem CID54287493
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESO=CCN(C(=O)C=Cc1ccccc1)C(=O)NN1CCOCC1
InChIInChI=1S/C16H19N3O4/c20-11-8-19(16(22)17-18-9-12-23-13-10-18)15(21)7-6-14-4-2-1-3-5-14/h1-7,11H,8-10,12-13H2,(H,17,22)
InChIKeyROARVVJFFQAFDW-UHFFFAOYSA-N
XLogP0.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide
CID 31196599
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
CID 173273840
(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-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
(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
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide (CID 54287493) is N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide is O=CCN(C(=O)C=Cc1ccccc1)C(=O)NN1CCOCC1.
What is the InChIKey of N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The InChIKey is ROARVVJFFQAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-11-8-19(16(22)17-18-9-12-23-13-10-18)15(21)7-6-14-4-2-1-3-5-14/h1-7,11H,8-10,12-13H2,(H,17,22).
What are the key properties of N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide?
N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide has a molecular weight of 317.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 54287493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).