2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide

C24H22N4O4 — CID 55769676

IUPAC2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C24H22N4O4/c29-24(16-31-20-9-11-22(12-10-20)32-21-6-2-1-3-7-21)27-19-5-4-8-23(15-19)30-14-13-28-18-25-17-26-28/h1-12,15,17-18H,13-14,16H2,(H,27,29)
InChIKeyCEOURNCQTCGLNU-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.17
Rot. Bonds10

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

2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide (PubChem CID 55769676) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
PubChem CID55769676
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C24H22N4O4/c29-24(16-31-20-9-11-22(12-10-20)32-21-6-2-1-3-7-21)27-19-5-4-8-23(15-19)30-14-13-28-18-25-17-26-28/h1-12,15,17-18H,13-14,16H2,(H,27,29)
InChIKeyCEOURNCQTCGLNU-UHFFFAOYSA-N
XLogP4.17
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769296
4-(1,3-benzothiazol-2-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880986
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
4-(aminomethyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939727
1-(4-chlorophenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]cyclobutane-1-carboxamide
CID 60530755
3-(1,3-benzothiazol-2-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]prop-2-enamide
CID 76865936
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide (CID 55769676) is 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide is O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cccc(OCCn2cncn2)c1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide?
The InChIKey is CEOURNCQTCGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-24(16-31-20-9-11-22(12-10-20)32-21-6-2-1-3-7-21)27-19-5-4-8-23(15-19)30-14-13-28-18-25-17-26-28/h1-12,15,17-18H,13-14,16H2,(H,27,29).
What are the key properties of 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide?
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 55769676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).