1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea

C11H22N2O2 — CID 103860224

IUPAC1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
SMILESCC(CO)CCCNC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O2/c1-9(8-14)4-3-7-12-11(15)13-10-5-2-6-10/h9-10,14H,2-8H2,1H3,(H2,12,13,15)
InChIKeyDKPQNSZHRGAHAB-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds6

About 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea

1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea (PubChem CID 103860224) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
PubChem CID103860224
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
SMILESCC(CO)CCCNC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O2/c1-9(8-14)4-3-7-12-11(15)13-10-5-2-6-10/h9-10,14H,2-8H2,1H3,(H2,12,13,15)
InChIKeyDKPQNSZHRGAHAB-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
1-(3-amino-2-methylpropyl)-3-cyclobutylurea
CID 116658132
1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
CID 106153750
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea (CID 103860224) is 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea is CC(CO)CCCNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea?
The InChIKey is DKPQNSZHRGAHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-14)4-3-7-12-11(15)13-10-5-2-6-10/h9-10,14H,2-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea?
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 103860224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).