(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide

C13H15NO3 — CID 13364699

IUPAC(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESCC(=O)c1ccc(/C=C/C(=O)NCCO)cc1
InChIInChI=1S/C13H15NO3/c1-10(16)12-5-2-11(3-6-12)4-7-13(17)14-8-9-15/h2-7,15H,8-9H2,1H3,(H,14,17)/b7-4+
InChIKeyAMSFBPFZAZVTNT-QPJJXVBHSA-N
MW233.27 g/mol
LogP1.01
Rot. Bonds5

About (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 13364699) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID13364699
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESCC(=O)c1ccc(/C=C/C(=O)NCCO)cc1
InChIInChI=1S/C13H15NO3/c1-10(16)12-5-2-11(3-6-12)4-7-13(17)14-8-9-15/h2-7,15H,8-9H2,1H3,(H,14,17)/b7-4+
InChIKeyAMSFBPFZAZVTNT-QPJJXVBHSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 141167180
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-(3-chloro-4-methylphenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919248
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
methyl 4-[3-[3-(dimethylamino)propylamino]-3-oxoprop-1-enyl]benzoate
CID 76859713
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78783054
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
CID 42611107

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 13364699) is (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide is CC(=O)c1ccc(/C=C/C(=O)NCCO)cc1.
What is the InChIKey of (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is AMSFBPFZAZVTNT-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(16)12-5-2-11(3-6-12)4-7-13(17)14-8-9-15/h2-7,15H,8-9H2,1H3,(H,14,17)/b7-4+.
What are the key properties of (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 233.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 13364699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).