2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide

C21H25N3O4 — CID 42926027

IUPAC2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(O)COc1ccc(C#N)cc1
InChIInChI=1S/C21H25N3O4/c1-3-24(14-21(26)23-19-6-4-5-7-20(19)27-2)13-17(25)15-28-18-10-8-16(12-22)9-11-18/h4-11,17,25H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyWOCXBRKNIJYRSN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.27
Rot. Bonds10

About 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide

2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 42926027) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID42926027
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(O)COc1ccc(C#N)cc1
InChIInChI=1S/C21H25N3O4/c1-3-24(14-21(26)23-19-6-4-5-7-20(19)27-2)13-17(25)15-28-18-10-8-16(12-22)9-11-18/h4-11,17,25H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyWOCXBRKNIJYRSN-UHFFFAOYSA-N
XLogP2.27
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 55471279
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 62016325
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 24574371
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
methyl 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548905
4-[(2S)-3-[ethyl-[3-[(S)-propylsulfinyl]propyl]amino]-2-hydroxypropoxy]benzonitrile;4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile
CID 67918663
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide (CID 42926027) is 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)CC(O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is WOCXBRKNIJYRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-24(14-21(26)23-19-6-4-5-7-20(19)27-2)13-17(25)15-28-18-10-8-16(12-22)9-11-18/h4-11,17,25H,3,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 42926027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).