1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C13H26N2O2 — CID 75511113

IUPAC1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)7-14-13(16)15-8-11-5-6-17-12(11)10(3)4/h9-12H,5-8H2,1-4H3,(H2,14,15,16)/t11-,12-/m1/s1
InChIKeyGCKZJHBQLYDXAO-VXGBXAGGSA-N
MW242.36 g/mol
LogP2.00
Rot. Bonds5

About 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 75511113) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID75511113
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)7-14-13(16)15-8-11-5-6-17-12(11)10(3)4/h9-12H,5-8H2,1-4H3,(H2,14,15,16)/t11-,12-/m1/s1
InChIKeyGCKZJHBQLYDXAO-VXGBXAGGSA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 75511113) is 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is CC(C)CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C.
What is the InChIKey of 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is GCKZJHBQLYDXAO-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)7-14-13(16)15-8-11-5-6-17-12(11)10(3)4/h9-12H,5-8H2,1-4H3,(H2,14,15,16)/t11-,12-/m1/s1.
What are the key properties of 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 242.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 75511113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).