1-cyclobutyl-3-(3-hydroxypropyl)urea

C8H16N2O2 — CID 115642270

IUPAC1-cyclobutyl-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC1CCC1
InChIInChI=1S/C8H16N2O2/c11-6-2-5-9-8(12)10-7-3-1-4-7/h7,11H,1-6H2,(H2,9,10,12)
InChIKeyKUSYMEFLJDQKRR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.22
Rot. Bonds4

About 1-cyclobutyl-3-(3-hydroxypropyl)urea

1-cyclobutyl-3-(3-hydroxypropyl)urea (PubChem CID 115642270) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-hydroxypropyl)urea
PubChem CID115642270
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-cyclobutyl-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC1CCC1
InChIInChI=1S/C8H16N2O2/c11-6-2-5-9-8(12)10-7-3-1-4-7/h7,11H,1-6H2,(H2,9,10,12)
InChIKeyKUSYMEFLJDQKRR-UHFFFAOYSA-N
XLogP0.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.22
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

1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 103899088
1-cyclopentyl-3-propylurea
CID 14343339
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 95968811
1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675
1-cyclopentyl-3-hex-5-ynylurea
CID 103757515
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-cyclobutyl-3-(3-hydroxypropyl)urea (CID 115642270) is 1-cyclobutyl-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(3-hydroxypropyl)urea is O=C(NCCCO)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3-hydroxypropyl)urea?
The InChIKey is KUSYMEFLJDQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-6-2-5-9-8(12)10-7-3-1-4-7/h7,11H,1-6H2,(H2,9,10,12).
What are the key properties of 1-cyclobutyl-3-(3-hydroxypropyl)urea?
1-cyclobutyl-3-(3-hydroxypropyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 115642270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).