1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

C18H36N4O2 — CID 18621165

IUPAC1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1
InChIInChI=1S/C18H36N4O2/c1-20-11-13-21(14-12-20)10-8-19-18(24)22(15-16-23)9-7-17-5-3-2-4-6-17/h17,23H,2-16H2,1H3,(H,19,24)
InChIKeyFFWLSHFJYKAOAW-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.21
Rot. Bonds8

About 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 18621165) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID18621165
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1
InChIInChI=1S/C18H36N4O2/c1-20-11-13-21(14-12-20)10-8-19-18(24)22(15-16-23)9-7-17-5-3-2-4-6-17/h17,23H,2-16H2,1H3,(H,19,24)
InChIKeyFFWLSHFJYKAOAW-UHFFFAOYSA-N
XLogP1.21
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (CID 18621165) is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is CN1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is FFWLSHFJYKAOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-20-11-13-21(14-12-20)10-8-19-18(24)22(15-16-23)9-7-17-5-3-2-4-6-17/h17,23H,2-16H2,1H3,(H,19,24).
What are the key properties of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 340.51 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 18621165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).