2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide

C15H22N2O3 — CID 61269643

IUPAC2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(OC)ccc1CNCC
InChIInChI=1S/C15H22N2O3/c1-4-8-17-15(18)11-20-14-9-13(19-3)7-6-12(14)10-16-5-2/h4,6-7,9,16H,1,5,8,10-11H2,2-3H3,(H,17,18)
InChIKeyKKYQVYPWJQQJRL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds9

About 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide

2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide (PubChem CID 61269643) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
PubChem CID61269643
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(OC)ccc1CNCC
InChIInChI=1S/C15H22N2O3/c1-4-8-17-15(18)11-20-14-9-13(19-3)7-6-12(14)10-16-5-2/h4,6-7,9,16H,1,5,8,10-11H2,2-3H3,(H,17,18)
InChIKeyKKYQVYPWJQQJRL-UHFFFAOYSA-N
XLogP1.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45304182
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 79168380
N-[(2,4-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4722371
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide (CID 61269643) is 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1cc(OC)ccc1CNCC.
What is the InChIKey of 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide?
The InChIKey is KKYQVYPWJQQJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-8-17-15(18)11-20-14-9-13(19-3)7-6-12(14)10-16-5-2/h4,6-7,9,16H,1,5,8,10-11H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide?
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 61269643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).