1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea

C15H32N2O2 — CID 22381351

IUPAC1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea
SMILESCCCCC(CC)C(O)C(CC)CNC(=O)NCC
InChIInChI=1S/C15H32N2O2/c1-5-9-10-12(6-2)14(18)13(7-3)11-17-15(19)16-8-4/h12-14,18H,5-11H2,1-4H3,(H2,16,17,19)
InChIKeyMORMEYQQRYYASJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.91
Rot. Bonds10

About 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea

1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea (PubChem CID 22381351) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea
PubChem CID22381351
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea
SMILESCCCCC(CC)C(O)C(CC)CNC(=O)NCC
InChIInChI=1S/C15H32N2O2/c1-5-9-10-12(6-2)14(18)13(7-3)11-17-15(19)16-8-4/h12-14,18H,5-11H2,1-4H3,(H2,16,17,19)
InChIKeyMORMEYQQRYYASJ-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea?
The IUPAC name of 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea (CID 22381351) is 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea.
What is the SMILES notation for 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea?
The canonical SMILES for 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea is CCCCC(CC)C(O)C(CC)CNC(=O)NCC.
What is the InChIKey of 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea?
The InChIKey is MORMEYQQRYYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-9-10-12(6-2)14(18)13(7-3)11-17-15(19)16-8-4/h12-14,18H,5-11H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea?
1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea has a molecular weight of 272.43 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethyl-3-hydroxyoctyl)-3-ethylurea is sourced from PubChem (CID 22381351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).