3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide

C21H24N4O3 — CID 55769708

IUPAC3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2cccc(OCCn3cncn3)c2)c1
InChIInChI=1S/C21H24N4O3/c1-16-10-17(2)12-20(11-16)27-8-6-21(26)24-18-4-3-5-19(13-18)28-9-7-25-15-22-14-23-25/h3-5,10-15H,6-9H2,1-2H3,(H,24,26)
InChIKeyOMFKGNHZVGYPIS-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.38
Rot. Bonds9

About 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide

3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide (PubChem CID 55769708) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
PubChem CID55769708
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2cccc(OCCn3cncn3)c2)c1
InChIInChI=1S/C21H24N4O3/c1-16-10-17(2)12-20(11-16)27-8-6-21(26)24-18-4-3-5-19(13-18)28-9-7-25-15-22-14-23-25/h3-5,10-15H,6-9H2,1-2H3,(H,24,26)
InChIKeyOMFKGNHZVGYPIS-UHFFFAOYSA-N
XLogP3.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55882008
3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561
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
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
2,3,4,5,6-pentamethyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzenesulfonamide
CID 60549348
1-(4-chlorophenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]cyclobutane-1-carboxamide
CID 60530755
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 134024169

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide (CID 55769708) is 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide is Cc1cc(C)cc(OCCC(=O)Nc2cccc(OCCn3cncn3)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The InChIKey is OMFKGNHZVGYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-16-10-17(2)12-20(11-16)27-8-6-21(26)24-18-4-3-5-19(13-18)28-9-7-25-15-22-14-23-25/h3-5,10-15H,6-9H2,1-2H3,(H,24,26).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 55769708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).