1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea

C8H18N2O2 — CID 115674453

IUPAC1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)CCO
InChIInChI=1S/C8H18N2O2/c1-4-9-7(12)10-8(2,3)5-6-11/h11H,4-6H2,1-3H3,(H2,9,10,12)
InChIKeyKHIIHUZGRYBMFN-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.47
Rot. Bonds4

About 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 115674453) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID115674453
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)CCO
InChIInChI=1S/C8H18N2O2/c1-4-9-7(12)10-8(2,3)5-6-11/h11H,4-6H2,1-3H3,(H2,9,10,12)
InChIKeyKHIIHUZGRYBMFN-UHFFFAOYSA-N
XLogP0.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
2-acetamido-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968810
1,3-bis(ethylcarbamoyl)urea
CID 134915369
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003
1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754283
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
1,3-diethylurea;ethane
CID 142885504
1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754526
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 115674453) is 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea is CCNC(=O)NC(C)(C)CCO.
What is the InChIKey of 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is KHIIHUZGRYBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-9-7(12)10-8(2,3)5-6-11/h11H,4-6H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 174.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 115674453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).