1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea

C15H25F3N2O2 — CID 109397539

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCN(CC1CCCC1O)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-20(9-10-3-2-4-13(10)21)14(22)19-12-7-5-11(6-8-12)15(16,17)18/h10-13,21H,2-9H2,1H3,(H,19,22)
InChIKeyNCPZWCUXWKGXSY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.91
Rot. Bonds3

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 109397539) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID109397539
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCN(CC1CCCC1O)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-20(9-10-3-2-4-13(10)21)14(22)19-12-7-5-11(6-8-12)15(16,17)18/h10-13,21H,2-9H2,1H3,(H,19,22)
InChIKeyNCPZWCUXWKGXSY-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 109397539) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea is CN(CC1CCCC1O)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is NCPZWCUXWKGXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-20(9-10-3-2-4-13(10)21)14(22)19-12-7-5-11(6-8-12)15(16,17)18/h10-13,21H,2-9H2,1H3,(H,19,22).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 109397539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).