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

C15H21N3O2 — CID 61269021

IUPAC2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(N)cc1C#N
InChIInChI=1S/C15H21N3O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-13(17)9-12(14)10-16/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyVNEFRQDKVYGDNX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds7

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

2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide (PubChem CID 61269021) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
PubChem CID61269021
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(N)cc1C#N
InChIInChI=1S/C15H21N3O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-13(17)9-12(14)10-16/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyVNEFRQDKVYGDNX-UHFFFAOYSA-N
XLogP2.21
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
CID 61268838
5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
CID 106956230
2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
CID 61269208
3-methyl-4-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 107673696
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
CID 83145925
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide?
The IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide (CID 61269021) is 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide.
What is the SMILES notation for 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide?
The canonical SMILES for 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1ccc(N)cc1C#N.
What is the InChIKey of 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide?
The InChIKey is VNEFRQDKVYGDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-13(17)9-12(14)10-16/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide?
2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 2.21, 7 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-pentylpropanamide is sourced from PubChem (CID 61269021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).