3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide

C20H25N3O4 — CID 113122366

IUPAC3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(OCCN(CCC(=O)NCc2ccncc2)C(C)=O)cc1
InChIInChI=1S/C20H25N3O4/c1-16(24)23(13-14-27-19-5-3-18(26-2)4-6-19)12-9-20(25)22-15-17-7-10-21-11-8-17/h3-8,10-11H,9,12-15H2,1-2H3,(H,22,25)
InChIKeyWTKREMFWEBQFAG-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.02
Rot. Bonds10

About 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113122366) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113122366
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(OCCN(CCC(=O)NCc2ccncc2)C(C)=O)cc1
InChIInChI=1S/C20H25N3O4/c1-16(24)23(13-14-27-19-5-3-18(26-2)4-6-19)12-9-20(25)22-15-17-7-10-21-11-8-17/h3-8,10-11H,9,12-15H2,1-2H3,(H,22,25)
InChIKeyWTKREMFWEBQFAG-UHFFFAOYSA-N
XLogP2.02
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 113152810
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide (CID 113122366) is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(OCCN(CCC(=O)NCc2ccncc2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is WTKREMFWEBQFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-16(24)23(13-14-27-19-5-3-18(26-2)4-6-19)12-9-20(25)22-15-17-7-10-21-11-8-17/h3-8,10-11H,9,12-15H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113122366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).