1-hydroxy-1-methyl-3-(2-methylpropyl)urea

C6H14N2O2 — CID 55286879

IUPAC1-hydroxy-1-methyl-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N(C)O
InChIInChI=1S/C6H14N2O2/c1-5(2)4-7-6(9)8(3)10/h5,10H,4H2,1-3H3,(H,7,9)
InChIKeyZNBSGSLWDIQMSR-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.67
Rot. Bonds2

About 1-hydroxy-1-methyl-3-(2-methylpropyl)urea

1-hydroxy-1-methyl-3-(2-methylpropyl)urea (PubChem CID 55286879) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-hydroxy-1-methyl-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-methyl-3-(2-methylpropyl)urea
PubChem CID55286879
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-hydroxy-1-methyl-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N(C)O
InChIInChI=1S/C6H14N2O2/c1-5(2)4-7-6(9)8(3)10/h5,10H,4H2,1-3H3,(H,7,9)
InChIKeyZNBSGSLWDIQMSR-UHFFFAOYSA-N
XLogP0.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(2-methylpropyl)-1-nitrosourea
CID 119097965
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
ethane;N-(2-methylpropyl)acetamide
CID 142232237
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595
2-[2-hydroxyethyl(methyl)amino]-N-(2-methylpropyl)propanamide
CID 60683962
3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide
CID 167068474
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
2-(2-methylpropylamino)prop-2-enal
CID 87965077
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-methyl-3-(2-methylpropyl)urea?
The IUPAC name of 1-hydroxy-1-methyl-3-(2-methylpropyl)urea (CID 55286879) is 1-hydroxy-1-methyl-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-hydroxy-1-methyl-3-(2-methylpropyl)urea?
The canonical SMILES for 1-hydroxy-1-methyl-3-(2-methylpropyl)urea is CC(C)CNC(=O)N(C)O.
What is the InChIKey of 1-hydroxy-1-methyl-3-(2-methylpropyl)urea?
The InChIKey is ZNBSGSLWDIQMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(2)4-7-6(9)8(3)10/h5,10H,4H2,1-3H3,(H,7,9).
What are the key properties of 1-hydroxy-1-methyl-3-(2-methylpropyl)urea?
1-hydroxy-1-methyl-3-(2-methylpropyl)urea has a molecular weight of 146.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methyl-3-(2-methylpropyl)urea is sourced from PubChem (CID 55286879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).