1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea

C10H22N2O2 — CID 79159484

IUPAC1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
SMILESCCN(C)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-12(4)10(14)11-9(7-13)6-8(2)3/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyJXXFENBYWBRKKL-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.05
Rot. Bonds5

About 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea

1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea (PubChem CID 79159484) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
PubChem CID79159484
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
SMILESCCN(C)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-12(4)10(14)11-9(7-13)6-8(2)3/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyJXXFENBYWBRKKL-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea (CID 79159484) is 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea is CCN(C)C(=O)NC(CO)CC(C)C.
What is the InChIKey of 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea?
The InChIKey is JXXFENBYWBRKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-12(4)10(14)11-9(7-13)6-8(2)3/h8-9,13H,5-7H2,1-4H3,(H,11,14).
What are the key properties of 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea?
1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea has a molecular weight of 202.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea is sourced from PubChem (CID 79159484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).