1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

C19H26N2O3 — CID 109390229

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESO=C(NC1C2CCOC2C12CCC2)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-11-10-21(13-14-5-2-1-3-6-14)18(23)20-16-15-7-12-24-17(15)19(16)8-4-9-19/h1-3,5-6,15-17,22H,4,7-13H2,(H,20,23)
InChIKeyWDVPSUMDZMDGEE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.15
Rot. Bonds5

About 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (PubChem CID 109390229) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
PubChem CID109390229
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESO=C(NC1C2CCOC2C12CCC2)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-11-10-21(13-14-5-2-1-3-6-14)18(23)20-16-15-7-12-24-17(15)19(16)8-4-9-19/h1-3,5-6,15-17,22H,4,7-13H2,(H,20,23)
InChIKeyWDVPSUMDZMDGEE-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 109398974
1-benzyl-1-(2,2-difluoroethyl)-3-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 97225282
1-benzyl-1-(2-hydroxyethyl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913070
N'-ethyl-4-(furan-2-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperazine-1-carboximidamide
CID 109391588
1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
CID 111435351
N'-ethyl-4-(furan-2-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperazine-1-carboximidamide;hydroiodide
CID 109391587
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
1-benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 110894883
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109392168
1-[(1-hydroxycyclopentyl)methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390208
2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol
CID 109379493
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (CID 109390229) is 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is O=C(NC1C2CCOC2C12CCC2)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The InChIKey is WDVPSUMDZMDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-11-10-21(13-14-5-2-1-3-6-14)18(23)20-16-15-7-12-24-17(15)19(16)8-4-9-19/h1-3,5-6,15-17,22H,4,7-13H2,(H,20,23).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea has a molecular weight of 330.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is sourced from PubChem (CID 109390229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).