3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

C18H32N2O3 — CID 86805738

IUPAC3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCCOC1CC(NC(=O)N(C)CC2CC(O)C2)C12CCCCC2
InChIInChI=1S/C18H32N2O3/c1-3-23-16-11-15(18(16)7-5-4-6-8-18)19-17(22)20(2)12-13-9-14(21)10-13/h13-16,21H,3-12H2,1-2H3,(H,19,22)
InChIKeyUHCIJEGRNISLIA-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.53
Rot. Bonds5

About 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (PubChem CID 86805738) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
PubChem CID86805738
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCCOC1CC(NC(=O)N(C)CC2CC(O)C2)C12CCCCC2
InChIInChI=1S/C18H32N2O3/c1-3-23-16-11-15(18(16)7-5-4-6-8-18)19-17(22)20(2)12-13-9-14(21)10-13/h13-16,21H,3-12H2,1-2H3,(H,19,22)
InChIKeyUHCIJEGRNISLIA-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The IUPAC name of 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (CID 86805738) is 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The canonical SMILES for 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is CCOC1CC(NC(=O)N(C)CC2CC(O)C2)C12CCCCC2.
What is the InChIKey of 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The InChIKey is UHCIJEGRNISLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-23-16-11-15(18(16)7-5-4-6-8-18)19-17(22)20(2)12-13-9-14(21)10-13/h13-16,21H,3-12H2,1-2H3,(H,19,22).
What are the key properties of 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea has a molecular weight of 324.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyspiro[3.5]nonan-1-yl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is sourced from PubChem (CID 86805738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).