2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

C15H16N4O2 — CID 115649625

IUPAC2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C15H16N4O2/c1-11(21-13-5-3-2-4-12(13)10-16)15(20)19-7-6-14-17-8-9-18-14/h2-5,8-9,11H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyXDSJNGKGJRIBKG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.41
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 115649625) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
PubChem CID115649625
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C15H16N4O2/c1-11(21-13-5-3-2-4-12(13)10-16)15(20)19-7-6-14-17-8-9-18-14/h2-5,8-9,11H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyXDSJNGKGJRIBKG-UHFFFAOYSA-N
XLogP1.41
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide 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

2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716433
2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 102556013
2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480051
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
CID 46596655
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712947
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (CID 115649625) is 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is CC(Oc1ccccc1C#N)C(=O)NCCc1ncc[nH]1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is XDSJNGKGJRIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(21-13-5-3-2-4-12(13)10-16)15(20)19-7-6-14-17-8-9-18-14/h2-5,8-9,11H,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 115649625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).