1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea

C17H26N2O2 — CID 84593172

IUPAC1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea
SMILESCN(CCO)C(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-19(11-12-20)17(21)18-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)
InChIKeyJBPJHJUBCXSOLX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea

1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea (PubChem CID 84593172) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea
PubChem CID84593172
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea
SMILESCN(CCO)C(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-19(11-12-20)17(21)18-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)
InChIKeyJBPJHJUBCXSOLX-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea (CID 84593172) is 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea is CN(CCO)C(=O)NCC1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea?
The InChIKey is JBPJHJUBCXSOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(11-12-20)17(21)18-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea?
1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea is sourced from PubChem (CID 84593172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).