2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide

C11H10N4O2 — CID 61388694

IUPAC2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1ccc(C#N)cc1N
InChIInChI=1S/C11H10N4O2/c12-3-4-15-11(16)7-17-10-2-1-8(6-13)5-9(10)14/h1-2,5H,4,7,14H2,(H,15,16)
InChIKeyUNCRGPMJPZMRQE-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.16
Rot. Bonds4

About 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide

2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide (PubChem CID 61388694) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
PubChem CID61388694
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1ccc(C#N)cc1N
InChIInChI=1S/C11H10N4O2/c12-3-4-15-11(16)7-17-10-2-1-8(6-13)5-9(10)14/h1-2,5H,4,7,14H2,(H,15,16)
InChIKeyUNCRGPMJPZMRQE-UHFFFAOYSA-N
XLogP0.16
TPSA111.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
ethyl 2-(2-amino-4-cyanophenoxy)acetate
CID 61388704
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-[2-amino-5-(dimethylamino)phenoxy]-N-(cyanomethyl)acetamide
CID 79589161
2-(2-amino-4-methylphenoxy)-N-(2-cyanoethyl)acetamide
CID 61313604
methyl 3-amino-4-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoate
CID 43380279
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700
2-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide (CID 61388694) is 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide is N#CCNC(=O)COc1ccc(C#N)cc1N.
What is the InChIKey of 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide?
The InChIKey is UNCRGPMJPZMRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-3-4-15-11(16)7-17-10-2-1-8(6-13)5-9(10)14/h1-2,5H,4,7,14H2,(H,15,16).
What are the key properties of 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide?
2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide has a molecular weight of 230.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 61388694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).