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

C20H19N5O3 — CID 55881119

IUPAC2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C20H19N5O3/c1-15(28-19-8-3-2-5-16(19)12-21)20(26)24-17-6-4-7-18(11-17)27-10-9-25-14-22-13-23-25/h2-8,11,13-15H,9-10H2,1H3,(H,24,26)
InChIKeyCEYQMLQXNYKZKY-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.63
Rot. Bonds8

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

2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide (PubChem CID 55881119) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
PubChem CID55881119
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C20H19N5O3/c1-15(28-19-8-3-2-5-16(19)12-21)20(26)24-17-6-4-7-18(11-17)27-10-9-25-14-22-13-23-25/h2-8,11,13-15H,9-10H2,1H3,(H,24,26)
InChIKeyCEYQMLQXNYKZKY-UHFFFAOYSA-N
XLogP2.63
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769296
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
CID 46596294
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
2-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]oxybenzonitrile
CID 153316431
2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
CID 120798729
(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide
CID 95330972
(2R)-2-(3-acetylphenoxy)-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 95248784
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
N-[3-(3-cyanopropoxy)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55878338

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide (CID 55881119) is 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide is CC(Oc1ccccc1C#N)C(=O)Nc1cccc(OCCn2cncn2)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
The InChIKey is CEYQMLQXNYKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-15(28-19-8-3-2-5-16(19)12-21)20(26)24-17-6-4-7-18(11-17)27-10-9-25-14-22-13-23-25/h2-8,11,13-15H,9-10H2,1H3,(H,24,26).
What are the key properties of 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide?
2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide has a molecular weight of 377.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 55881119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).