1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea

C12H26N2O3 — CID 111508605

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)10(6-7-15)14-11(16)13-8-12(3,4)17-5/h9-10,15H,6-8H2,1-5H3,(H2,13,14,16)
InChIKeyFZUHXQVHXBALRK-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.12
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea (PubChem CID 111508605) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea
PubChem CID111508605
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)10(6-7-15)14-11(16)13-8-12(3,4)17-5/h9-10,15H,6-8H2,1-5H3,(H2,13,14,16)
InChIKeyFZUHXQVHXBALRK-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2,2,4-trimethylpent-3-yl)urea
CID 129797237
1-(3-Fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 110007196
N-(tert-Butoxycarbamoyl)-(1S,2R)-1-(hydroxymethyl)-2-methylbutylamine
CID 22951244
(S)-N-(1,4-dihydroxy-4-methylpentan-2-yl) morpholine-4-carboxamide
CID 58378093
1-(1-Methoxy-4-methylpentan-2-yl)-3-methylurea
CID 58758843
(1-Hydroxy-4-methylpentan-2-yl)urea
CID 61246955
N-(1,4-dihydroxy-4-methylpentan-2-yl)morpholine-4-carboxamide
CID 67359401
3-(1-Hydroxy-3-methylbutan-2-yl)-1,1-dimethylurea
CID 79255404
1-(1-Hydroxy-4-methylpentan-2-yl)-3-methylurea
CID 81301942
1-[1-(4-Hydroxy-2-methylbutan-2-yl)oxypropan-2-yl]-3-methylurea
CID 130441361
1-[1-Hydroxy-3-(2-methylbutan-2-yloxy)propan-2-yl]-3-methylurea
CID 134215850
1-tert-butyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 24808370

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea (CID 111508605) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea is COC(C)(C)CNC(=O)NC(CCO)C(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea?
The InChIKey is FZUHXQVHXBALRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)10(6-7-15)14-11(16)13-8-12(3,4)17-5/h9-10,15H,6-8H2,1-5H3,(H2,13,14,16).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea has a molecular weight of 246.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 111508605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).