1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

C18H32N2O3 — CID 109390224

IUPAC1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCCC(CC)(CCO)CNC(=O)NC1C2CCOC2C12CCC2
InChIInChI=1S/C18H32N2O3/c1-3-17(4-2,9-10-21)12-19-16(22)20-14-13-6-11-23-15(13)18(14)7-5-8-18/h13-15,21H,3-12H2,1-2H3,(H2,19,20,22)
InChIKeyVWMJDGBEDSAMTL-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.43
Rot. Bonds7

About 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (PubChem CID 109390224) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.

Molecular Properties

Compound Name1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
PubChem CID109390224
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCCC(CC)(CCO)CNC(=O)NC1C2CCOC2C12CCC2
InChIInChI=1S/C18H32N2O3/c1-3-17(4-2,9-10-21)12-19-16(22)20-14-13-6-11-23-15(13)18(14)7-5-8-18/h13-15,21H,3-12H2,1-2H3,(H2,19,20,22)
InChIKeyVWMJDGBEDSAMTL-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea with MolForge

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390202
1-[(1-hydroxycyclopentyl)methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390208
1-(2-pyrrol-1-ylethyl)-3-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]urea
CID 124840716
3-cyclobutyl-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]propanamide
CID 99635444
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 71909925
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 124739932
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109380484
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109396181
1-(1H-pyrazol-5-ylmethyl)-3-[(1S,5S,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 99850452
(2R)-2-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)butan-1-ol
CID 103922423
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111459175
1-ethyl-2-(3-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109391258

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The IUPAC name of 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (CID 109390224) is 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.
What is the SMILES notation for 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The canonical SMILES for 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is CCC(CC)(CCO)CNC(=O)NC1C2CCOC2C12CCC2.
What is the InChIKey of 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The InChIKey is VWMJDGBEDSAMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-17(4-2,9-10-21)12-19-16(22)20-14-13-6-11-23-15(13)18(14)7-5-8-18/h13-15,21H,3-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea has a molecular weight of 324.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is sourced from PubChem (CID 109390224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).