N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide

C13H17N3O2 — CID 9163961

IUPACN-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NN(C)C
InChIInChI=1S/C13H17N3O2/c1-10(17)14-12(13(18)15-16(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,17)(H,15,18)/b12-9-
InChIKeyJKVOTLJOVFRSGT-XFXZXTDPSA-N
MW247.30 g/mol
LogP0.76
Rot. Bonds4

About N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide

N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide (PubChem CID 9163961) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
PubChem CID9163961
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NN(C)C
InChIInChI=1S/C13H17N3O2/c1-10(17)14-12(13(18)15-16(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,17)(H,15,18)/b12-9-
InChIKeyJKVOTLJOVFRSGT-XFXZXTDPSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]benzoic acid
CID 139795518
(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
CID 21226623
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide (CID 9163961) is N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide is CC(=O)N/C(=C\c1ccccc1)C(=O)NN(C)C.
What is the InChIKey of N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The InChIKey is JKVOTLJOVFRSGT-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(17)14-12(13(18)15-16(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,17)(H,15,18)/b12-9-.
What are the key properties of N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide is sourced from PubChem (CID 9163961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).