2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide

C13H25N3O — CID 101084214

IUPAC2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C13H25N3O/c1-6-15(7-2)12(17)10-14-8-9-16(11-14)13(3,4)5/h8-9H,6-7,10-11H2,1-5H3
InChIKeyDQGKRGVWZGRRDJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.70
Rot. Bonds4

About 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide

2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide (PubChem CID 101084214) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide
PubChem CID101084214
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C13H25N3O/c1-6-15(7-2)12(17)10-14-8-9-16(11-14)13(3,4)5/h8-9H,6-7,10-11H2,1-5H3
InChIKeyDQGKRGVWZGRRDJ-UHFFFAOYSA-N
XLogP1.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide (CID 101084214) is 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C=CN(C(C)(C)C)C1.
What is the InChIKey of 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide?
The InChIKey is DQGKRGVWZGRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-15(7-2)12(17)10-14-8-9-16(11-14)13(3,4)5/h8-9H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide?
2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide has a molecular weight of 239.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2H-imidazol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 101084214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).