1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one

C16H32N2O3 — CID 14836216

IUPAC1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one
SMILESCCCCN1C(=O)N(CCC)C(OC(C)C)C1OC(C)C
InChIInChI=1S/C16H32N2O3/c1-7-9-11-18-15(21-13(5)6)14(20-12(3)4)17(10-8-2)16(18)19/h12-15H,7-11H2,1-6H3
InChIKeyBWQKCNDPCHTUGR-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.44
Rot. Bonds9

About 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one

1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one (PubChem CID 14836216) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one
PubChem CID14836216
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one
SMILESCCCCN1C(=O)N(CCC)C(OC(C)C)C1OC(C)C
InChIInChI=1S/C16H32N2O3/c1-7-9-11-18-15(21-13(5)6)14(20-12(3)4)17(10-8-2)16(18)19/h12-15H,7-11H2,1-6H3
InChIKeyBWQKCNDPCHTUGR-UHFFFAOYSA-N
XLogP3.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one?
The IUPAC name of 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one (CID 14836216) is 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one.
What is the SMILES notation for 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one?
The canonical SMILES for 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one is CCCCN1C(=O)N(CCC)C(OC(C)C)C1OC(C)C.
What is the InChIKey of 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one?
The InChIKey is BWQKCNDPCHTUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-9-11-18-15(21-13(5)6)14(20-12(3)4)17(10-8-2)16(18)19/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one?
1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one has a molecular weight of 300.44 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5-di(propan-2-yloxy)-3-propylimidazolidin-2-one is sourced from PubChem (CID 14836216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).