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

C14H30N2O2 — CID 22381382

IUPAC1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea
SMILESCCCCC(CC)C(O)C(CC)CNC(=O)NC
InChIInChI=1S/C14H30N2O2/c1-5-8-9-11(6-2)13(17)12(7-3)10-16-14(18)15-4/h11-13,17H,5-10H2,1-4H3,(H2,15,16,18)
InChIKeyGOKMNOSGDLMAQW-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.52
Rot. Bonds9

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

1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea (PubChem CID 22381382) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea
PubChem CID22381382
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea
SMILESCCCCC(CC)C(O)C(CC)CNC(=O)NC
InChIInChI=1S/C14H30N2O2/c1-5-8-9-11(6-2)13(17)12(7-3)10-16-14(18)15-4/h11-13,17H,5-10H2,1-4H3,(H2,15,16,18)
InChIKeyGOKMNOSGDLMAQW-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclopentylmethyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 72115734
1-[(2-Hydroxycyclohexyl)methyl]-3-(4-methoxybutan-2-yl)-1-methylurea
CID 84597682
1-butyl-3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methyl]urea
CID 97335161
1-(1-Cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea
CID 166262820
1-[(2-Hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea
CID 71868655
1-[(4S,5S)-5-amino-6-cyclohexyl-4-hydroxyhexyl]-3-ethylurea
CID 15735047
N-(4-hydroxynonyl)Urea
CID 21501470
(2-Ethyl-3-hydroxyhexyl)urea
CID 22381162
1-Butyl-3-(2,4-diethyl-3-hydroxyoctyl)urea
CID 22381290
1-Ethyl-3-(2-ethyl-3-hydroxyhexyl)urea
CID 22381298
1-(2-Ethyl-3-hydroxyhexyl)-3-methylurea
CID 22381322
1-(2,4-Diethyl-3-hydroxyoctyl)imidazolidin-2-one
CID 22381346

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea?
The IUPAC name of 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea (CID 22381382) is 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea.
What is the SMILES notation for 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea?
The canonical SMILES for 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea is CCCCC(CC)C(O)C(CC)CNC(=O)NC.
What is the InChIKey of 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea?
The InChIKey is GOKMNOSGDLMAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-8-9-11(6-2)13(17)12(7-3)10-16-14(18)15-4/h11-13,17H,5-10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea?
1-(2,4-diethyl-3-hydroxyoctyl)-3-methylurea has a molecular weight of 258.41 g/mol, XLogP of 2.52, 9 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-methylurea is sourced from PubChem (CID 22381382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).