(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide

C12H14N2O2 — CID 47142125

IUPAC(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H14N2O2/c1-9(15)14-11-6-3-10(4-7-11)5-8-12(16)13-2/h3-8H,1-2H3,(H,13,16)(H,14,15)/b8-5+
InChIKeyUKDKNNSGPSHMMS-VMPITWQZSA-N
MW218.26 g/mol
LogP1.40
Rot. Bonds3

About (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide

(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide (PubChem CID 47142125) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
PubChem CID47142125
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H14N2O2/c1-9(15)14-11-6-3-10(4-7-11)5-8-12(16)13-2/h3-8H,1-2H3,(H,13,16)(H,14,15)/b8-5+
InChIKeyUKDKNNSGPSHMMS-VMPITWQZSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
CID 147337787
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527944
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
CID 23455779
(E)-N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527941
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 14989749
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
CID 143732890
(E)-3-(4-acetamidophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]prop-2-enamide
CID 46537448

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide (CID 47142125) is (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc(NC(C)=O)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide?
The InChIKey is UKDKNNSGPSHMMS-VMPITWQZSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)14-11-6-3-10(4-7-11)5-8-12(16)13-2/h3-8H,1-2H3,(H,13,16)(H,14,15)/b8-5+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 47142125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).