3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one

C15H25N3O2 — CID 68882191

IUPAC3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one
SMILESCCCc1ncc(C(=O)C=CN(C)C)n1C(C)(C)OC
InChIInChI=1S/C15H25N3O2/c1-7-8-14-16-11-12(13(19)9-10-17(4)5)18(14)15(2,3)20-6/h9-11H,7-8H2,1-6H3
InChIKeyRRQBETZTEMWBAK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.43
Rot. Bonds7

About 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one

3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one (PubChem CID 68882191) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one
PubChem CID68882191
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one
SMILESCCCc1ncc(C(=O)C=CN(C)C)n1C(C)(C)OC
InChIInChI=1S/C15H25N3O2/c1-7-8-14-16-11-12(13(19)9-10-17(4)5)18(14)15(2,3)20-6/h9-11H,7-8H2,1-6H3
InChIKeyRRQBETZTEMWBAK-UHFFFAOYSA-N
XLogP2.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one (CID 68882191) is 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one is CCCc1ncc(C(=O)C=CN(C)C)n1C(C)(C)OC.
What is the InChIKey of 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one?
The InChIKey is RRQBETZTEMWBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-7-8-14-16-11-12(13(19)9-10-17(4)5)18(14)15(2,3)20-6/h9-11H,7-8H2,1-6H3.
What are the key properties of 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one?
3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one has a molecular weight of 279.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-(2-methoxypropan-2-yl)-2-propylimidazol-4-yl]prop-2-en-1-one is sourced from PubChem (CID 68882191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).