1-cyclohexyl-3-(2-hydroxyethyl)urea

C9H18N2O2 — CID 522238

IUPAC1-cyclohexyl-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC1CCCCC1
InChIInChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)
InChIKeyMJBAEQKACQBEMK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds3

About 1-cyclohexyl-3-(2-hydroxyethyl)urea

1-cyclohexyl-3-(2-hydroxyethyl)urea (PubChem CID 522238) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-hydroxyethyl)urea
PubChem CID522238
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-cyclohexyl-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC1CCCCC1
InChIInChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)
InChIKeyMJBAEQKACQBEMK-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-hydroxyethyl)urea (CID 522238) is 1-cyclohexyl-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-hydroxyethyl)urea is O=C(NCCO)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-hydroxyethyl)urea?
The InChIKey is MJBAEQKACQBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13).
What are the key properties of 1-cyclohexyl-3-(2-hydroxyethyl)urea?
1-cyclohexyl-3-(2-hydroxyethyl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 522238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).