1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea

C18H25FN2O3 — CID 71915144

IUPAC1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESO=C(NCCOc1cccc(F)c1)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C18H25FN2O3/c19-14-4-3-5-16(12-14)23-11-9-20-17(22)21-15-6-10-24-18(13-15)7-1-2-8-18/h3-5,12,15H,1-2,6-11,13H2,(H2,20,21,22)
InChIKeyUQSAHYUPYPHAPF-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.00
Rot. Bonds5

About 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea

1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea (PubChem CID 71915144) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
PubChem CID71915144
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESO=C(NCCOc1cccc(F)c1)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C18H25FN2O3/c19-14-4-3-5-16(12-14)23-11-9-20-17(22)21-15-6-10-24-18(13-15)7-1-2-8-18/h3-5,12,15H,1-2,6-11,13H2,(H2,20,21,22)
InChIKeyUQSAHYUPYPHAPF-UHFFFAOYSA-N
XLogP3.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-(4-phenoxybutyl)urea
CID 98559377
1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97077585
2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 118763452
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112832180
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 155949862
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea (CID 71915144) is 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea is O=C(NCCOc1cccc(F)c1)NC1CCOC2(CCCC2)C1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The InChIKey is UQSAHYUPYPHAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-14-4-3-5-16(12-14)23-11-9-20-17(22)21-15-6-10-24-18(13-15)7-1-2-8-18/h3-5,12,15H,1-2,6-11,13H2,(H2,20,21,22).
What are the key properties of 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea has a molecular weight of 336.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea is sourced from PubChem (CID 71915144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).