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

C18H28N2O2 — CID 56764370

IUPAC1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCC(O)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c21-17(16-11-5-2-6-12-16)14-20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-17,21H,2,5-7,10-14H2,(H2,19,20,22)
InChIKeyOOGLJOJZBBXXGN-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.86
Rot. Bonds7

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

1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea (PubChem CID 56764370) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea
PubChem CID56764370
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCC(O)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c21-17(16-11-5-2-6-12-16)14-20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-17,21H,2,5-7,10-14H2,(H2,19,20,22)
InChIKeyOOGLJOJZBBXXGN-UHFFFAOYSA-N
XLogP2.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea (CID 56764370) is 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCC(O)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea?
The InChIKey is OOGLJOJZBBXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-17(16-11-5-2-6-12-16)14-20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-17,21H,2,5-7,10-14H2,(H2,19,20,22).
What are the key properties of 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea?
1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea has a molecular weight of 304.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-hydroxyethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 56764370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).