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

C13H15N3O2 — CID 61269208

IUPAC2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
SMILESCC(Oc1ccc(N)cc1C#N)C(=O)NC1CC1
InChIInChI=1S/C13H15N3O2/c1-8(13(17)16-11-3-4-11)18-12-5-2-10(15)6-9(12)7-14/h2,5-6,8,11H,3-4,15H2,1H3,(H,16,17)
InChIKeyDNWPAPBGKLVWST-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds4

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

2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide (PubChem CID 61269208) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
PubChem CID61269208
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
SMILESCC(Oc1ccc(N)cc1C#N)C(=O)NC1CC1
InChIInChI=1S/C13H15N3O2/c1-8(13(17)16-11-3-4-11)18-12-5-2-10(15)6-9(12)7-14/h2,5-6,8,11H,3-4,15H2,1H3,(H,16,17)
InChIKeyDNWPAPBGKLVWST-UHFFFAOYSA-N
XLogP1.19
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
CID 61268838
2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021
4-[2-(2-cyanophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230368
cis-(1R,3S)-3-[2-(2-cyanophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120677894
methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate
CID 43380125
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
CID 78932641
2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 103567041
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
CID 4808213
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
CID 113389862

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide (CID 61269208) is 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide is CC(Oc1ccc(N)cc1C#N)C(=O)NC1CC1.
What is the InChIKey of 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide?
The InChIKey is DNWPAPBGKLVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(13(17)16-11-3-4-11)18-12-5-2-10(15)6-9(12)7-14/h2,5-6,8,11H,3-4,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide?
2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide has a molecular weight of 245.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 61269208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).