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

C11H22N2O2 — CID 51374342

IUPAC1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-9(8-14)12-11(15)13-10-6-4-3-5-7-10/h9-10,14H,2-8H2,1H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyCCQRJKDTMMURQW-SECBINFHSA-N
MW214.31 g/mol
LogP1.39
Rot. Bonds4

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

1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 51374342) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID51374342
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-9(8-14)12-11(15)13-10-6-4-3-5-7-10/h9-10,14H,2-8H2,1H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyCCQRJKDTMMURQW-SECBINFHSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 51374342) is 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea is CC[C@H](CO)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is CCQRJKDTMMURQW-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-9(8-14)12-11(15)13-10-6-4-3-5-7-10/h9-10,14H,2-8H2,1H3,(H2,12,13,15)/t9-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 51374342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).