1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea

C11H22N2O2 — CID 115730778

IUPAC1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(7-14)13-11(15)12-9-4-3-5-9/h8-10,14H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyGHKJBZLSFHZAEW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds5

About 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 115730778) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID115730778
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(7-14)13-11(15)12-9-4-3-5-9/h8-10,14H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyGHKJBZLSFHZAEW-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 125131576
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 115730778) is 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is GHKJBZLSFHZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-10(7-14)13-11(15)12-9-4-3-5-9/h8-10,14H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 115730778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).