1,1-diethyl-3-(2-methoxycyclopentyl)urea

C11H22N2O2 — CID 115693925

IUPAC1,1-diethyl-3-(2-methoxycyclopentyl)urea
SMILESCCN(CC)C(=O)NC1CCCC1OC
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)11(14)12-9-7-6-8-10(9)15-3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyMEBQOKQZOPCYGV-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds4

About 1,1-diethyl-3-(2-methoxycyclopentyl)urea

1,1-diethyl-3-(2-methoxycyclopentyl)urea (PubChem CID 115693925) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-methoxycyclopentyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-methoxycyclopentyl)urea
PubChem CID115693925
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1,1-diethyl-3-(2-methoxycyclopentyl)urea
SMILESCCN(CC)C(=O)NC1CCCC1OC
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)11(14)12-9-7-6-8-10(9)15-3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyMEBQOKQZOPCYGV-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-methoxycyclopentyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-methoxycyclopentyl)urea (CID 115693925) is 1,1-diethyl-3-(2-methoxycyclopentyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-methoxycyclopentyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-methoxycyclopentyl)urea is CCN(CC)C(=O)NC1CCCC1OC.
What is the InChIKey of 1,1-diethyl-3-(2-methoxycyclopentyl)urea?
The InChIKey is MEBQOKQZOPCYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(5-2)11(14)12-9-7-6-8-10(9)15-3/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 1,1-diethyl-3-(2-methoxycyclopentyl)urea?
1,1-diethyl-3-(2-methoxycyclopentyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-methoxycyclopentyl)urea is sourced from PubChem (CID 115693925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).