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

C16H25FN2O3 — CID 111508432

IUPAC1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCC(CNC(=O)NC(CCO)C(C)C)Oc1cccc(F)c1
InChIInChI=1S/C16H25FN2O3/c1-11(2)15(7-8-20)19-16(21)18-10-12(3)22-14-6-4-5-13(17)9-14/h4-6,9,11-12,15,20H,7-8,10H2,1-3H3,(H2,18,19,21)
InChIKeyZEFJXOGTUNIWDV-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.30
Rot. Bonds8

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

1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea (PubChem CID 111508432) has the molecular formula C16H25FN2O3 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
PubChem CID111508432
Molecular FormulaC16H25FN2O3
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCC(CNC(=O)NC(CCO)C(C)C)Oc1cccc(F)c1
InChIInChI=1S/C16H25FN2O3/c1-11(2)15(7-8-20)19-16(21)18-10-12(3)22-14-6-4-5-13(17)9-14/h4-6,9,11-12,15,20H,7-8,10H2,1-3H3,(H2,18,19,21)
InChIKeyZEFJXOGTUNIWDV-UHFFFAOYSA-N
XLogP2.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111502904
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
1-[(2R)-2-(3-fluorophenoxy)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96518547
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473971
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71998964
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940911
(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
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea (CID 111508432) is 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea is CC(CNC(=O)NC(CCO)C(C)C)Oc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The InChIKey is ZEFJXOGTUNIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-11(2)15(7-8-20)19-16(21)18-10-12(3)22-14-6-4-5-13(17)9-14/h4-6,9,11-12,15,20H,7-8,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea has a molecular weight of 312.38 g/mol, XLogP of 2.30, 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-(1-hydroxy-4-methylpentan-3-yl)urea is sourced from PubChem (CID 111508432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).