1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea

C8H18N2O2 — CID 103819942

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

About 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea

1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea (PubChem CID 103819942) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
PubChem CID103819942
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
SMILESCCC(C)(CCO)NC(=O)NC
InChIInChI=1S/C8H18N2O2/c1-4-8(2,5-6-11)10-7(12)9-3/h11H,4-6H2,1-3H3,(H2,9,10,12)
InChIKeyNPQAGPHOUBNKGI-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

N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 106175369
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea?
The IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea (CID 103819942) is 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea.
What is the SMILES notation for 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea?
The canonical SMILES for 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea is CCC(C)(CCO)NC(=O)NC.
What is the InChIKey of 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea?
The InChIKey is NPQAGPHOUBNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-8(2,5-6-11)10-7(12)9-3/h11H,4-6H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea?
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea 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-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea is sourced from PubChem (CID 103819942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).