2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide

C15H19N3O3 — CID 2565430

IUPAC2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C15H19N3O3/c1-11(2)7-8-17-15(20)18-14(19)10-21-13-6-4-3-5-12(13)9-16/h3-6,11H,7-8,10H2,1-2H3,(H2,17,18,19,20)
InChIKeySRXICACFTTUTQJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide

2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 2565430) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID2565430
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C15H19N3O3/c1-11(2)7-8-17-15(20)18-14(19)10-21-13-6-4-3-5-12(13)9-16/h3-6,11H,7-8,10H2,1-2H3,(H2,17,18,19,20)
InChIKeySRXICACFTTUTQJ-UHFFFAOYSA-N
XLogP1.81
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2475788
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2098388
2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2468296
N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide
CID 2565283
N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide
CID 2565327
2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide
CID 2650084
2-(2-cyanophenoxy)-N-cycloheptylacetamide
CID 4798427

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide (CID 2565430) is 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is SRXICACFTTUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(2)7-8-17-15(20)18-14(19)10-21-13-6-4-3-5-12(13)9-16/h3-6,11H,7-8,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide?
2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 2565430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).