1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea

C14H26N2O3 — CID 111506932

IUPAC1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C14H26N2O3/c1-9(4-6-17)8-15-13(18)16-11-10-5-7-19-12(10)14(11,2)3/h9-12,17H,4-8H2,1-3H3,(H2,15,16,18)
InChIKeyCZKQALQUFFVRPT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.12
Rot. Bonds5

About 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111506932) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111506932
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C14H26N2O3/c1-9(4-6-17)8-15-13(18)16-11-10-5-7-19-12(10)14(11,2)3/h9-12,17H,4-8H2,1-3H3,(H2,15,16,18)
InChIKeyCZKQALQUFFVRPT-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea with MolForge

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Related Compounds

1-[2-(Cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 75422165
1-(1-Hydroxy-4,4-dimethylpentan-3-yl)-3-[1-(oxolan-3-yl)ethyl]urea
CID 86800445
3-(2,2-Diethyl-3-methoxy-4-methylcyclobutyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91651113
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea
CID 102558072
3-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64862915
4-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-2-ol
CID 64911554
3-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-1-ol
CID 65034487
4-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylbutan-1-ol
CID 66090171
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 71847258
1-[2-[Cyclopropyl(ethyl)amino]ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 71874161
1-(Cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 71874166
1-(Cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 71874167

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111506932) is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NC1C2CCOC2C1(C)C.
What is the InChIKey of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is CZKQALQUFFVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(4-6-17)8-15-13(18)16-11-10-5-7-19-12(10)14(11,2)3/h9-12,17H,4-8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 270.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111506932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).