1-(2-ethyl-3-hydroxyhexyl)-3-methylurea

C10H22N2O2 — CID 22381322

IUPAC1-(2-ethyl-3-hydroxyhexyl)-3-methylurea
SMILESCCCC(O)C(CC)CNC(=O)NC
InChIInChI=1S/C10H22N2O2/c1-4-6-9(13)8(5-2)7-12-10(14)11-3/h8-9,13H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyMORVGRJLFPKJCW-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.10
Rot. Bonds6

About 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea

1-(2-ethyl-3-hydroxyhexyl)-3-methylurea (PubChem CID 22381322) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-ethyl-3-hydroxyhexyl)-3-methylurea
PubChem CID22381322
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(2-ethyl-3-hydroxyhexyl)-3-methylurea
SMILESCCCC(O)C(CC)CNC(=O)NC
InChIInChI=1S/C10H22N2O2/c1-4-6-9(13)8(5-2)7-12-10(14)11-3/h8-9,13H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyMORVGRJLFPKJCW-UHFFFAOYSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea?
The IUPAC name of 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea (CID 22381322) is 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea.
What is the SMILES notation for 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea?
The canonical SMILES for 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea is CCCC(O)C(CC)CNC(=O)NC.
What is the InChIKey of 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea?
The InChIKey is MORVGRJLFPKJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-9(13)8(5-2)7-12-10(14)11-3/h8-9,13H,4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea?
1-(2-ethyl-3-hydroxyhexyl)-3-methylurea has a molecular weight of 202.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-hydroxyhexyl)-3-methylurea is sourced from PubChem (CID 22381322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).