1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea

C17H26N2O2 — CID 154665770

IUPAC1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c20-16-11-9-15(10-12-16)19-17(21)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2,(H2,18,19,21)
InChIKeyLXTDYUKRGKTJBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.61
Rot. Bonds6

About 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea

1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea (PubChem CID 154665770) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea
PubChem CID154665770
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c20-16-11-9-15(10-12-16)19-17(21)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2,(H2,18,19,21)
InChIKeyLXTDYUKRGKTJBN-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.61
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-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea (CID 154665770) is 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea?
The InChIKey is LXTDYUKRGKTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-11-9-15(10-12-16)19-17(21)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2,(H2,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea?
1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 154665770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).