3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea

C14H27N3O2 — CID 106613469

IUPAC3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(CCO)CC1CCCN1
InChIInChI=1S/C14H27N3O2/c18-10-9-17(11-13-7-4-8-15-13)14(19)16-12-5-2-1-3-6-12/h12-13,15,18H,1-11H2,(H,16,19)
InChIKeyZOQCYFCBPIBDOR-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.08
Rot. Bonds5

About 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea

3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613469) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613469
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(CCO)CC1CCCN1
InChIInChI=1S/C14H27N3O2/c18-10-9-17(11-13-7-4-8-15-13)14(19)16-12-5-2-1-3-6-12/h12-13,15,18H,1-11H2,(H,16,19)
InChIKeyZOQCYFCBPIBDOR-UHFFFAOYSA-N
XLogP1.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea (CID 106613469) is 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea is O=C(NC1CCCCC1)N(CCO)CC1CCCN1.
What is the InChIKey of 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is ZOQCYFCBPIBDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-10-9-17(11-13-7-4-8-15-13)14(19)16-12-5-2-1-3-6-12/h12-13,15,18H,1-11H2,(H,16,19).
What are the key properties of 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea?
3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 269.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).