N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide

C14H19NO2 — CID 78906847

IUPACN-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-4-6-14(16)15(3)11-12-7-9-13(10-8-12)17-5-2/h4,6-10H,5,11H2,1-3H3
InChIKeyZDGKWEXBOUCYNZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide

N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide (PubChem CID 78906847) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
PubChem CID78906847
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-4-6-14(16)15(3)11-12-7-9-13(10-8-12)17-5-2/h4,6-10H,5,11H2,1-3H3
InChIKeyZDGKWEXBOUCYNZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide
CID 134048504
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide (CID 78906847) is N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide is CC=CC(=O)N(C)Cc1ccc(OCC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide?
The InChIKey is ZDGKWEXBOUCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-6-14(16)15(3)11-12-7-9-13(10-8-12)17-5-2/h4,6-10H,5,11H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide?
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide is sourced from PubChem (CID 78906847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).