2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide

C17H23N3O2 — CID 6498889

IUPAC2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C17H23N3O2/c1-13-9-14(2)11-16(10-13)22-15(3)17(21)19-5-4-7-20-8-6-18-12-20/h6,8-12,15H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyPZVLUQDUAWLATB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.47
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide

2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 6498889) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID6498889
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C17H23N3O2/c1-13-9-14(2)11-16(10-13)22-15(3)17(21)19-5-4-7-20-8-6-18-12-20/h6,8-12,15H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyPZVLUQDUAWLATB-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide (CID 6498889) is 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide is Cc1cc(C)cc(OC(C)C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is PZVLUQDUAWLATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-9-14(2)11-16(10-13)22-15(3)17(21)19-5-4-7-20-8-6-18-12-20/h6,8-12,15H,4-5,7H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide?
2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 6498889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).