2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide

C20H22N4O4 — CID 55769296

IUPAC2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(OCCn3cncn3)c2)cc1
InChIInChI=1S/C20H22N4O4/c1-15(28-18-8-6-17(26-2)7-9-18)20(25)23-16-4-3-5-19(12-16)27-11-10-24-14-21-13-22-24/h3-9,12-15H,10-11H2,1-2H3,(H,23,25)
InChIKeyDLNOFIVUWJAGGW-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.77
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide

2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide (PubChem CID 55769296) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
PubChem CID55769296
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(OCCn3cncn3)c2)cc1
InChIInChI=1S/C20H22N4O4/c1-15(28-18-8-6-17(26-2)7-9-18)20(25)23-16-4-3-5-19(12-16)27-11-10-24-14-21-13-22-24/h3-9,12-15H,10-11H2,1-2H3,(H,23,25)
InChIKeyDLNOFIVUWJAGGW-UHFFFAOYSA-N
XLogP2.77
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55881119
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
CID 120798729
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide (CID 55769296) is 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide is COc1ccc(OC(C)C(=O)Nc2cccc(OCCn3cncn3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The InChIKey is DLNOFIVUWJAGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-15(28-18-8-6-17(26-2)7-9-18)20(25)23-16-4-3-5-19(12-16)27-11-10-24-14-21-13-22-24/h3-9,12-15H,10-11H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 55769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).