2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide

C16H21N3O2 — CID 71788990

IUPAC2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide
SMILESCCOCC(=O)NCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-2-21-13-15(20)17-9-6-11-19-12-10-18-16(19)14-7-4-3-5-8-14/h3-5,7-8,10,12H,2,6,9,11,13H2,1H3,(H,17,20)
InChIKeyVXFHPWVRDQMQHD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds8

About 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide

2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide (PubChem CID 71788990) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide
PubChem CID71788990
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide
SMILESCCOCC(=O)NCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-2-21-13-15(20)17-9-6-11-19-12-10-18-16(19)14-7-4-3-5-8-14/h3-5,7-8,10,12H,2,6,9,11,13H2,1H3,(H,17,20)
InChIKeyVXFHPWVRDQMQHD-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
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-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide (CID 71788990) is 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide is CCOCC(=O)NCCCn1ccnc1-c1ccccc1.
What is the InChIKey of 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide?
The InChIKey is VXFHPWVRDQMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-13-15(20)17-9-6-11-19-12-10-18-16(19)14-7-4-3-5-8-14/h3-5,7-8,10,12H,2,6,9,11,13H2,1H3,(H,17,20).
What are the key properties of 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide?
2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(2-phenylimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 71788990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).