1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea

C15H21FN2O3 — CID 111508451

IUPAC1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
SMILESCC(CNC(=O)N(CCO)C1CC1)Oc1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-11(21-14-4-2-3-12(16)9-14)10-17-15(20)18(7-8-19)13-5-6-13/h2-4,9,11,13,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyKNRVUAANZXGQAX-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.76
Rot. Bonds7

About 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea (PubChem CID 111508451) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
PubChem CID111508451
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
SMILESCC(CNC(=O)N(CCO)C1CC1)Oc1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-11(21-14-4-2-3-12(16)9-14)10-17-15(20)18(7-8-19)13-5-6-13/h2-4,9,11,13,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyKNRVUAANZXGQAX-UHFFFAOYSA-N
XLogP1.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111508528
1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
CID 95968582
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 110901786
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111681903
3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 60845409
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
CID 120795026
1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111508432
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
1-[(2R)-2-(3-fluorophenoxy)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96518547

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea (CID 111508451) is 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea is CC(CNC(=O)N(CCO)C1CC1)Oc1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea?
The InChIKey is KNRVUAANZXGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(21-14-4-2-3-12(16)9-14)10-17-15(20)18(7-8-19)13-5-6-13/h2-4,9,11,13,19H,5-8,10H2,1H3,(H,17,20).
What are the key properties of 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea has a molecular weight of 296.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111508451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).