N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide

C14H17N3O3 — CID 2565283

IUPACN-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H17N3O3/c1-14(2,3)17-13(19)16-12(18)9-20-11-7-5-4-6-10(11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyCIIOWOKNHZQLQP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide

N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide (PubChem CID 2565283) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide
PubChem CID2565283
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H17N3O3/c1-14(2,3)17-13(19)16-12(18)9-20-11-7-5-4-6-10(11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyCIIOWOKNHZQLQP-UHFFFAOYSA-N
XLogP1.56
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2489695
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide
CID 2565327
2-(2-cyanophenoxy)-N-cyclohexylacetamide
CID 2341761
2-(2-cyanophenoxy)-N-prop-2-enylacetamide
CID 2565359
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N-carbamoyl-2-(2-cyanophenoxy)acetamide
CID 2565401
2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide
CID 2565402
2-(2-cyanophenoxy)-N-(3-methylbutylcarbamoyl)acetamide
CID 2565430
2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide
CID 2565436
N-tert-butyl-2-(2-methylphenoxy)acetamide
CID 729996

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide (CID 2565283) is N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide is CC(C)(C)NC(=O)NC(=O)COc1ccccc1C#N.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is CIIOWOKNHZQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)17-13(19)16-12(18)9-20-11-7-5-4-6-10(11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 2565283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).