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

C15H19N3O3 — CID 173273813

IUPAC(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCCN(NC)C(=O)N(CC=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H19N3O3/c1-3-18(16-2)15(21)17(11-12-19)14(20)10-9-13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3/b10-9+
InChIKeyAPIWBORNBXPWIE-MDZDMXLPSA-N
MW289.33 g/mol
LogP1.30
Rot. Bonds6

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

(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (PubChem CID 173273813) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
PubChem CID173273813
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCCN(NC)C(=O)N(CC=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H19N3O3/c1-3-18(16-2)15(21)17(11-12-19)14(20)10-9-13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3/b10-9+
InChIKeyAPIWBORNBXPWIE-MDZDMXLPSA-N
XLogP1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
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-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
CID 173273881
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111

Frequently Asked Questions

What is the IUPAC name of (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (CID 173273813) is (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is CCN(NC)C(=O)N(CC=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The InChIKey is APIWBORNBXPWIE-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18(16-2)15(21)17(11-12-19)14(20)10-9-13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3/b10-9+.
What are the key properties of (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide has a molecular weight of 289.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 173273813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).