1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

C13H28N2O2 — CID 94870934

IUPAC1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCCCC[C@@H](CC)CNC(=O)N[C@H](CC)CO
InChIInChI=1S/C13H28N2O2/c1-4-7-8-11(5-2)9-14-13(17)15-12(6-3)10-16/h11-12,16H,4-10H2,1-3H3,(H2,14,15,17)/t11-,12-/m1/s1
InChIKeyLUCJWJGLCCSFHO-VXGBXAGGSA-N
MW244.38 g/mol
LogP2.27
Rot. Bonds9

About 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 94870934) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID94870934
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCCCC[C@@H](CC)CNC(=O)N[C@H](CC)CO
InChIInChI=1S/C13H28N2O2/c1-4-7-8-11(5-2)9-14-13(17)15-12(6-3)10-16/h11-12,16H,4-10H2,1-3H3,(H2,14,15,17)/t11-,12-/m1/s1
InChIKeyLUCJWJGLCCSFHO-VXGBXAGGSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 94870934) is 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is CCCC[C@@H](CC)CNC(=O)N[C@H](CC)CO.
What is the InChIKey of 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is LUCJWJGLCCSFHO-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-8-11(5-2)9-14-13(17)15-12(6-3)10-16/h11-12,16H,4-10H2,1-3H3,(H2,14,15,17)/t11-,12-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 244.38 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 94870934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).