(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide

C13H16N2O2 — CID 29278022

IUPAC(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C13H16N2O2/c1-10(16)14-12(13(17)15(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)/b12-9-
InChIKeyTYGFKAVVUFIJEG-XFXZXTDPSA-N
MW232.28 g/mol
LogP1.25
Rot. Bonds3

About (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide

(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide (PubChem CID 29278022) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
PubChem CID29278022
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C13H16N2O2/c1-10(16)14-12(13(17)15(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)/b12-9-
InChIKeyTYGFKAVVUFIJEG-XFXZXTDPSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(E)-3-(dimethylamino)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
CID 167060738
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
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
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6244466
4-[[[(Z)-2-acetamido-3-phenylprop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8965459
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-[(E)-1-(4-cyanophenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5369515
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 17271674
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide (CID 29278022) is (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)N(C)C.
What is the InChIKey of (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide?
The InChIKey is TYGFKAVVUFIJEG-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)14-12(13(17)15(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)/b12-9-.
What are the key properties of (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide?
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide has a molecular weight of 232.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 29278022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).