4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide

C14H20N2O2 — CID 170798811

IUPAC4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
SMILESCN(C)CCOc1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)10-11-18-13-8-6-12(7-9-13)4-3-5-14(15)17/h3-4,6-9H,5,10-11H2,1-2H3,(H2,15,17)
InChIKeyIFEYMSUOXCVRSX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds7

About 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide

4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide (PubChem CID 170798811) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
PubChem CID170798811
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
SMILESCN(C)CCOc1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)10-11-18-13-8-6-12(7-9-13)4-3-5-14(15)17/h3-4,6-9H,5,10-11H2,1-2H3,(H2,15,17)
InChIKeyIFEYMSUOXCVRSX-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
CID 102115295
tert-butyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
CID 69301263
benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
CID 169472519
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
3-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]phenyl]prop-2-enoic acid
CID 76951172
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
CID 170473957

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide (CID 170798811) is 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide is CN(C)CCOc1ccc(C=CCC(N)=O)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide?
The InChIKey is IFEYMSUOXCVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)10-11-18-13-8-6-12(7-9-13)4-3-5-14(15)17/h3-4,6-9H,5,10-11H2,1-2H3,(H2,15,17).
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide?
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide is sourced from PubChem (CID 170798811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).