N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide

C16H19N3O4 — CID 54552603

IUPACN-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NCCC(=O)NN(CC=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C16H19N3O4/c1-13(21)17-10-9-15(22)18-19(11-12-20)16(23)8-7-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyJJAFBNTZFQANKM-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.28
Rot. Bonds7

About N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide

N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide (PubChem CID 54552603) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide
PubChem CID54552603
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NCCC(=O)NN(CC=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C16H19N3O4/c1-13(21)17-10-9-15(22)18-19(11-12-20)16(23)8-7-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyJJAFBNTZFQANKM-UHFFFAOYSA-N
XLogP0.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
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'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
CID 173273647
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N'-methylsulfonyl-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
CID 173273801
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
(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
(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
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide
CID 22112962
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
CID 173273881

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide?
The IUPAC name of N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide (CID 54552603) is N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide is CC(=O)NCCC(=O)NN(CC=O)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide?
The InChIKey is JJAFBNTZFQANKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-13(21)17-10-9-15(22)18-19(11-12-20)16(23)8-7-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide?
N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide is sourced from PubChem (CID 54552603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).