2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide

C14H20N2O2 — CID 60882862

IUPAC2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1C(C)NC
InChIInChI=1S/C14H20N2O2/c1-4-9-16-14(17)10-18-13-8-6-5-7-12(13)11(2)15-3/h4-8,11,15H,1,9-10H2,2-3H3,(H,16,17)
InChIKeySQVKDROSDRFVKP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide

2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide (PubChem CID 60882862) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
PubChem CID60882862
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1C(C)NC
InChIInChI=1S/C14H20N2O2/c1-4-9-16-14(17)10-18-13-8-6-5-7-12(13)11(2)15-3/h4-8,11,15H,1,9-10H2,2-3H3,(H,16,17)
InChIKeySQVKDROSDRFVKP-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578
2-(2-phenylphenoxy)-N-prop-2-enylacetamide
CID 7971284
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436811
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 114319991
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
CID 113389648
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide (CID 60882862) is 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccccc1C(C)NC.
What is the InChIKey of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is SQVKDROSDRFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-16-14(17)10-18-13-8-6-5-7-12(13)11(2)15-3/h4-8,11,15H,1,9-10H2,2-3H3,(H,16,17).
What are the key properties of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide?
2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 60882862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).