1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea

C15H29FN2O2 — CID 166262820

IUPAC1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea
SMILESO=C(NCCCCF)NC(CCO)C1CCCCCC1
InChIInChI=1S/C15H29FN2O2/c16-10-5-6-11-17-15(20)18-14(9-12-19)13-7-3-1-2-4-8-13/h13-14,19H,1-12H2,(H2,17,18,20)
InChIKeyQGDUVDQNRZIHKS-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.76
Rot. Bonds8

About 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea

1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea (PubChem CID 166262820) has the molecular formula C15H29FN2O2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea.

Molecular Properties

Compound Name1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea
PubChem CID166262820
Molecular FormulaC15H29FN2O2
Molecular Weight288.41 g/mol
Exact Mass288.22
IUPAC Name1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea
SMILESO=C(NCCCCF)NC(CCO)C1CCCCCC1
InChIInChI=1S/C15H29FN2O2/c16-10-5-6-11-17-15(20)18-14(9-12-19)13-7-3-1-2-4-8-13/h13-14,19H,1-12H2,(H2,17,18,20)
InChIKeyQGDUVDQNRZIHKS-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea?
The IUPAC name of 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea (CID 166262820) is 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea.
What is the SMILES notation for 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea?
The canonical SMILES for 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea is O=C(NCCCCF)NC(CCO)C1CCCCCC1.
What is the InChIKey of 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea?
The InChIKey is QGDUVDQNRZIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O2/c16-10-5-6-11-17-15(20)18-14(9-12-19)13-7-3-1-2-4-8-13/h13-14,19H,1-12H2,(H2,17,18,20).
What are the key properties of 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea?
1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea has a molecular weight of 288.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-3-hydroxypropyl)-3-(4-fluorobutyl)urea is sourced from PubChem (CID 166262820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).