1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea

C10H20N2O2 — CID 103708347

IUPAC1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCC(C)(CCO)CNC(=O)NC1CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,5-6-13)7-11-9(14)12-8-3-4-8/h8,13H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyXATMJSOEDFDGDE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds5

About 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea

1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea (PubChem CID 103708347) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
PubChem CID103708347
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCC(C)(CCO)CNC(=O)NC1CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,5-6-13)7-11-9(14)12-8-3-4-8/h8,13H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyXATMJSOEDFDGDE-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 103899088
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504961
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842814
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea (CID 103708347) is 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea is CC(C)(CCO)CNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The InChIKey is XATMJSOEDFDGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,5-6-13)7-11-9(14)12-8-3-4-8/h8,13H,3-7H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea?
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea has a molecular weight of 200.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 103708347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).