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

C15H26N2O3 — CID 109390202

IUPAC1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCC(CCO)CNC(=O)NC1C2CCOC2C12CCC2
InChIInChI=1S/C15H26N2O3/c1-10(3-7-18)9-16-14(19)17-12-11-4-8-20-13(11)15(12)5-2-6-15/h10-13,18H,2-9H2,1H3,(H2,16,17,19)
InChIKeyOUOFEHKMBWPSCI-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.26
Rot. Bonds5

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

1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (PubChem CID 109390202) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
PubChem CID109390202
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCC(CCO)CNC(=O)NC1C2CCOC2C12CCC2
InChIInChI=1S/C15H26N2O3/c1-10(3-7-18)9-16-14(19)17-12-11-4-8-20-13(11)15(12)5-2-6-15/h10-13,18H,2-9H2,1H3,(H2,16,17,19)
InChIKeyOUOFEHKMBWPSCI-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506932
1-(2,2-diethyl-4-hydroxybutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390224
1-[(1-hydroxycyclopentyl)methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390208
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109380484
1-(2-pyrrol-1-ylethyl)-3-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]urea
CID 124840716
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 71909925
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 109396749
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide
CID 120993433
1-ethyl-2-(3-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109391258
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
3-cyclobutyl-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]propanamide
CID 99635444

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (CID 109390202) is 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is CC(CCO)CNC(=O)NC1C2CCOC2C12CCC2.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The InChIKey is OUOFEHKMBWPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(3-7-18)9-16-14(19)17-12-11-4-8-20-13(11)15(12)5-2-6-15/h10-13,18H,2-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea has a molecular weight of 282.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is sourced from PubChem (CID 109390202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).