N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide

C14H16N2O4 — CID 54222824

IUPACN-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCCN(O)C(=O)N(CC=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C14H16N2O4/c1-2-16(20)14(19)15(10-11-17)13(18)9-8-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3
InChIKeyFGMBCLMBTBLBPM-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.56
Rot. Bonds5

About N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide

N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (PubChem CID 54222824) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
PubChem CID54222824
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCCN(O)C(=O)N(CC=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C14H16N2O4/c1-2-16(20)14(19)15(10-11-17)13(18)9-8-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3
InChIKeyFGMBCLMBTBLBPM-UHFFFAOYSA-N
XLogP1.56
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
CID 173273840

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (CID 54222824) is N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is CCN(O)C(=O)N(CC=O)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The InChIKey is FGMBCLMBTBLBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-16(20)14(19)15(10-11-17)13(18)9-8-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3.
What are the key properties of N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide has a molecular weight of 276.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 54222824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).