1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea

C17H26N2O3 — CID 84598746

IUPAC1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea
SMILESCC1OCCC1NC(=O)N(Cc1ccccc1)CC(C)(C)O
InChIInChI=1S/C17H26N2O3/c1-13-15(9-10-22-13)18-16(20)19(12-17(2,3)21)11-14-7-5-4-6-8-14/h4-8,13,15,21H,9-12H2,1-3H3,(H,18,20)
InChIKeyTWCKMNCJLPVRCL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds5

About 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea

1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea (PubChem CID 84598746) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea
PubChem CID84598746
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea
SMILESCC1OCCC1NC(=O)N(Cc1ccccc1)CC(C)(C)O
InChIInChI=1S/C17H26N2O3/c1-13-15(9-10-22-13)18-16(20)19(12-17(2,3)21)11-14-7-5-4-6-8-14/h4-8,13,15,21H,9-12H2,1-3H3,(H,18,20)
InChIKeyTWCKMNCJLPVRCL-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea?
The IUPAC name of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea (CID 84598746) is 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea is CC1OCCC1NC(=O)N(Cc1ccccc1)CC(C)(C)O.
What is the InChIKey of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea?
The InChIKey is TWCKMNCJLPVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-15(9-10-22-13)18-16(20)19(12-17(2,3)21)11-14-7-5-4-6-8-14/h4-8,13,15,21H,9-12H2,1-3H3,(H,18,20).
What are the key properties of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea?
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea has a molecular weight of 306.41 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-hydroxy-2-methylpropyl)-3-(2-methyloxolan-3-yl)urea is sourced from PubChem (CID 84598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).