3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide

C14H19N3O2 — CID 61116829

IUPAC3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
SMILESCC(C#N)CN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H19N3O2/c1-11(9-15)10-17(2)14(18)6-7-19-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,10,16H2,1-2H3
InChIKeyLWSIUPKYOHSNCL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds6

About 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide

3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide (PubChem CID 61116829) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
PubChem CID61116829
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
SMILESCC(C#N)CN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H19N3O2/c1-11(9-15)10-17(2)14(18)6-7-19-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,10,16H2,1-2H3
InChIKeyLWSIUPKYOHSNCL-UHFFFAOYSA-N
XLogP1.66
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide 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

3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
3-(3-aminophenoxy)-2-methylpropanenitrile
CID 61036010
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 61095622
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
3-(3-aminophenyl)-1-(2-cyanopropyl)-1-methylurea
CID 54990972
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide (CID 61116829) is 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide is CC(C#N)CN(C)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide?
The InChIKey is LWSIUPKYOHSNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(9-15)10-17(2)14(18)6-7-19-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,10,16H2,1-2H3.
What are the key properties of 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide?
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide is sourced from PubChem (CID 61116829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).