1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea

C20H31N3O2 — CID 18588983

IUPAC1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc(C(CNC(=O)NC2CCCCC2)N2CCOCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-16-7-9-17(10-8-16)19(23-11-13-25-14-12-23)15-21-20(24)22-18-5-3-2-4-6-18/h7-10,18-19H,2-6,11-15H2,1H3,(H2,21,22,24)
InChIKeyGFJJMPYRCLDGNV-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.00
Rot. Bonds5

About 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea

1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 18588983) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
PubChem CID18588983
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc(C(CNC(=O)NC2CCCCC2)N2CCOCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-16-7-9-17(10-8-16)19(23-11-13-25-14-12-23)15-21-20(24)22-18-5-3-2-4-6-18/h7-10,18-19H,2-6,11-15H2,1H3,(H2,21,22,24)
InChIKeyGFJJMPYRCLDGNV-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea (CID 18588983) is 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea is Cc1ccc(C(CNC(=O)NC2CCCCC2)N2CCOCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is GFJJMPYRCLDGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-7-9-17(10-8-16)19(23-11-13-25-14-12-23)15-21-20(24)22-18-5-3-2-4-6-18/h7-10,18-19H,2-6,11-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea?
1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 345.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 18588983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).