2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide

C14H19N3O2 — CID 61388593

IUPAC2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1N
InChIInChI=1S/C14H19N3O2/c1-9(2)8-17-14(18)10(3)19-13-5-4-11(7-15)6-12(13)16/h4-6,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyZCKIKCQQWAWPLD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.68
Rot. Bonds5

About 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide

2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 61388593) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
PubChem CID61388593
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1N
InChIInChI=1S/C14H19N3O2/c1-9(2)8-17-14(18)10(3)19-13-5-4-11(7-15)6-12(13)16/h4-6,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyZCKIKCQQWAWPLD-UHFFFAOYSA-N
XLogP1.68
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.68
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

2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-(4-cyano-2-fluorophenoxy)-N-prop-2-ynylpropanamide
CID 113263499
2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
methyl 4-amino-3-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoate
CID 43380135
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-(2-methylpropyl)propanamide
CID 62098476
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide (CID 61388593) is 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1N.
What is the InChIKey of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is ZCKIKCQQWAWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)8-17-14(18)10(3)19-13-5-4-11(7-15)6-12(13)16/h4-6,9-10H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide?
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 61388593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).