(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide

C12H16N2O — CID 164990335

IUPAC(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
SMILESCNCc1ccc(/C=C/C(=O)NC)cc1
InChIInChI=1S/C12H16N2O/c1-13-9-11-5-3-10(4-6-11)7-8-12(15)14-2/h3-8,13H,9H2,1-2H3,(H,14,15)/b8-7+
InChIKeyUZEDHOQSVYBYLT-BQYQJAHWSA-N
MW204.27 g/mol
LogP1.17
Rot. Bonds4

About (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide

(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide (PubChem CID 164990335) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
PubChem CID164990335
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
SMILESCNCc1ccc(/C=C/C(=O)NC)cc1
InChIInChI=1S/C12H16N2O/c1-13-9-11-5-3-10(4-6-11)7-8-12(15)14-2/h3-8,13H,9H2,1-2H3,(H,14,15)/b8-7+
InChIKeyUZEDHOQSVYBYLT-BQYQJAHWSA-N
XLogP1.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.17
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

(Z)-3-[4-(methylaminomethyl)phenyl]prop-2-enoic acid
CID 146750094
N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527944
(E)-N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527941
(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
CID 147337787
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 5176366
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(1E,4Z,6E)-7-[4-(dimethylamino)phenyl]-5-hydroxy-1-[4-(methylaminomethyl)phenyl]hepta-1,4,6-trien-3-one
CID 58833440
(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 14989749
methyl (E)-3-[4-[2-[4-[(E)-3-(methylamino)-3-oxoprop-1-enyl]phenyl]-2-oxoacetyl]phenyl]prop-2-enoate
CID 21334858
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide (CID 164990335) is (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide is CNCc1ccc(/C=C/C(=O)NC)cc1.
What is the InChIKey of (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide?
The InChIKey is UZEDHOQSVYBYLT-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-9-11-5-3-10(4-6-11)7-8-12(15)14-2/h3-8,13H,9H2,1-2H3,(H,14,15)/b8-7+.
What are the key properties of (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide?
(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 164990335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).