3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

C16H32N2O3 — CID 71854685

IUPAC3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)NCC1CCOC1C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-18(11-16(5,6)20)14(19)17-10-12-8-9-21-13(12)15(2,3)4/h12-13,20H,7-11H2,1-6H3,(H,17,19)
InChIKeyQBMHOELROCPFCL-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.24
Rot. Bonds5

About 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 71854685) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID71854685
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)NCC1CCOC1C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-18(11-16(5,6)20)14(19)17-10-12-8-9-21-13(12)15(2,3)4/h12-13,20H,7-11H2,1-6H3,(H,17,19)
InChIKeyQBMHOELROCPFCL-UHFFFAOYSA-N
XLogP2.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (CID 71854685) is 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is CCN(CC(C)(C)O)C(=O)NCC1CCOC1C(C)(C)C.
What is the InChIKey of 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is QBMHOELROCPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-18(11-16(5,6)20)14(19)17-10-12-8-9-21-13(12)15(2,3)4/h12-13,20H,7-11H2,1-6H3,(H,17,19).
What are the key properties of 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 300.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 71854685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).