2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

C18H25N3O2 — CID 6498888

IUPAC2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)15-7-4-5-8-16(15)23-13-17(22)20-9-6-11-21-12-10-19-14-21/h4-5,7-8,10,12,14H,6,9,11,13H2,1-3H3,(H,20,22)
InChIKeyKYXNXENMGBUTBL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 6498888) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID6498888
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)15-7-4-5-8-16(15)23-13-17(22)20-9-6-11-21-12-10-19-14-21/h4-5,7-8,10,12,14H,6,9,11,13H2,1-3H3,(H,20,22)
InChIKeyKYXNXENMGBUTBL-UHFFFAOYSA-N
XLogP2.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
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-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (CID 6498888) is 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is CC(C)(C)c1ccccc1OCC(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is KYXNXENMGBUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)15-7-4-5-8-16(15)23-13-17(22)20-9-6-11-21-12-10-19-14-21/h4-5,7-8,10,12,14H,6,9,11,13H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 6498888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).