(2-cyclohexyl-2-phenylethyl)urea

C15H22N2O — CID 6472454

IUPAC(2-cyclohexyl-2-phenylethyl)urea
SMILESNC(=O)NCC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H22N2O/c16-15(18)17-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H3,16,17,18)
InChIKeyAXBONUKITUAQNP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.02
Rot. Bonds4

About (2-cyclohexyl-2-phenylethyl)urea

(2-cyclohexyl-2-phenylethyl)urea (PubChem CID 6472454) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-cyclohexyl-2-phenylethyl)urea.

Molecular Properties

Compound Name(2-cyclohexyl-2-phenylethyl)urea
PubChem CID6472454
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-cyclohexyl-2-phenylethyl)urea
SMILESNC(=O)NCC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H22N2O/c16-15(18)17-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H3,16,17,18)
InChIKeyAXBONUKITUAQNP-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-phenylethyl)urea?
The IUPAC name of (2-cyclohexyl-2-phenylethyl)urea (CID 6472454) is (2-cyclohexyl-2-phenylethyl)urea.
What is the SMILES notation for (2-cyclohexyl-2-phenylethyl)urea?
The canonical SMILES for (2-cyclohexyl-2-phenylethyl)urea is NC(=O)NCC(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-2-phenylethyl)urea?
The InChIKey is AXBONUKITUAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-15(18)17-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H3,16,17,18).
What are the key properties of (2-cyclohexyl-2-phenylethyl)urea?
(2-cyclohexyl-2-phenylethyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-phenylethyl)urea is sourced from PubChem (CID 6472454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).