2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide

C17H21N3O3 — CID 9360204

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C17H21N3O3/c1-13(21)14-4-5-16(23-2)15(10-14)11-17(22)19-6-3-8-20-9-7-18-12-20/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,19,22)
InChIKeyNRXOSGMWCBUZEI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.84
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 9360204) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID9360204
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C17H21N3O3/c1-13(21)14-4-5-16(23-2)15(10-14)11-17(22)19-6-3-8-20-9-7-18-12-20/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,19,22)
InChIKeyNRXOSGMWCBUZEI-UHFFFAOYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 9360204) is 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is NRXOSGMWCBUZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(21)14-4-5-16(23-2)15(10-14)11-17(22)19-6-3-8-20-9-7-18-12-20/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 9360204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).