1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C12H22N2O2 — CID 108912681

IUPAC1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)NC=C1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,9-15)14-11(16)13-8-10-6-4-3-5-7-10/h8,15H,3-7,9H2,1-2H3,(H2,13,14,16)
InChIKeyKZJLURLPRPQGSS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.90
Rot. Bonds3

About 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 108912681) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID108912681
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)NC=C1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,9-15)14-11(16)13-8-10-6-4-3-5-7-10/h8,15H,3-7,9H2,1-2H3,(H2,13,14,16)
InChIKeyKZJLURLPRPQGSS-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 108912681) is 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is CC(C)(CO)NC(=O)NC=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is KZJLURLPRPQGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,9-15)14-11(16)13-8-10-6-4-3-5-7-10/h8,15H,3-7,9H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 108912681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).