3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide

C21H24N2O5 — CID 55727070

IUPAC3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
SMILESCC=Cc1ccc(OCC(=O)Nc2ccc(OCCC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-3-4-15-5-10-18(19(13-15)26-2)28-14-21(25)23-16-6-8-17(9-7-16)27-12-11-20(22)24/h3-10,13H,11-12,14H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyUABMLXCBEBMRKB-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.00
Rot. Bonds10

About 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide

3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide (PubChem CID 55727070) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
PubChem CID55727070
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
SMILESCC=Cc1ccc(OCC(=O)Nc2ccc(OCCC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-3-4-15-5-10-18(19(13-15)26-2)28-14-21(25)23-16-6-8-17(9-7-16)27-12-11-20(22)24/h3-10,13H,11-12,14H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyUABMLXCBEBMRKB-UHFFFAOYSA-N
XLogP3.00
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7999544
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 30034039
2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 6489932
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide?
The IUPAC name of 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide (CID 55727070) is 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide?
The canonical SMILES for 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide is CC=Cc1ccc(OCC(=O)Nc2ccc(OCCC(N)=O)cc2)c(OC)c1.
What is the InChIKey of 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide?
The InChIKey is UABMLXCBEBMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-4-15-5-10-18(19(13-15)26-2)28-14-21(25)23-16-6-8-17(9-7-16)27-12-11-20(22)24/h3-10,13H,11-12,14H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide?
3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide has a molecular weight of 384.43 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide is sourced from PubChem (CID 55727070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).