1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea

C15H23FN2O3 — CID 111508454

IUPAC1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-11(6-7-19)9-17-15(20)18-10-12(2)21-14-5-3-4-13(16)8-14/h3-5,8,11-12,19H,6-7,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyPSXTVZPRJHWDBS-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.91
Rot. Bonds8

About 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111508454) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111508454
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-11(6-7-19)9-17-15(20)18-10-12(2)21-14-5-3-4-13(16)8-14/h3-5,8,11-12,19H,6-7,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyPSXTVZPRJHWDBS-UHFFFAOYSA-N
XLogP1.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111508432
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473971
1-[(2R)-2-(3-fluorophenoxy)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96518547
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide
CID 119335650
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335649
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111502904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111508454) is 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NCC(C)Oc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is PSXTVZPRJHWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-11(6-7-19)9-17-15(20)18-10-12(2)21-14-5-3-4-13(16)8-14/h3-5,8,11-12,19H,6-7,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 298.36 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111508454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).