3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide

C13H15N3O2 — CID 55098582

IUPAC3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
SMILESN#Cc1ccc(OCCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C13H15N3O2/c14-8-9-1-4-12(11(15)7-9)18-6-5-13(17)16-10-2-3-10/h1,4,7,10H,2-3,5-6,15H2,(H,16,17)
InChIKeySNUOVZSJHSUGKF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds5

About 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide

3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide (PubChem CID 55098582) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
PubChem CID55098582
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
SMILESN#Cc1ccc(OCCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C13H15N3O2/c14-8-9-1-4-12(11(15)7-9)18-6-5-13(17)16-10-2-3-10/h1,4,7,10H,2-3,5-6,15H2,(H,16,17)
InChIKeySNUOVZSJHSUGKF-UHFFFAOYSA-N
XLogP1.19
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
CID 79589419
2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide
CID 115467773
3-amino-4-(2-cyclopentylethoxy)benzonitrile
CID 114190833
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
CID 61388694
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide (CID 55098582) is 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide is N#Cc1ccc(OCCC(=O)NC2CC2)c(N)c1.
What is the InChIKey of 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide?
The InChIKey is SNUOVZSJHSUGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-9-1-4-12(11(15)7-9)18-6-5-13(17)16-10-2-3-10/h1,4,7,10H,2-3,5-6,15H2,(H,16,17).
What are the key properties of 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide?
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide has a molecular weight of 245.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 55098582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).