1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

C16H25FN2O3 — CID 111508685

IUPAC1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(CNC(=O)NCC(C)(O)C(C)C)Oc1ccccc1F
InChIInChI=1S/C16H25FN2O3/c1-11(2)16(4,21)10-19-15(20)18-9-12(3)22-14-8-6-5-7-13(14)17/h5-8,11-12,21H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyCPLDRNFUXYMPAH-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.30
Rot. Bonds7

About 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111508685) has the molecular formula C16H25FN2O3 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111508685
Molecular FormulaC16H25FN2O3
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(CNC(=O)NCC(C)(O)C(C)C)Oc1ccccc1F
InChIInChI=1S/C16H25FN2O3/c1-11(2)16(4,21)10-19-15(20)18-9-12(3)22-14-8-6-5-7-13(14)17/h5-8,11-12,21H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyCPLDRNFUXYMPAH-UHFFFAOYSA-N
XLogP2.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111509604
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111482952
1-[2-(2-fluorophenoxy)propyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71868329
N-[2-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111685041
1-(2-hydroxy-2,3-dimethylbutyl)-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111508975
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
1-benzyl-3-[2-(2-fluorophenoxy)propyl]-2-methylguanidine
CID 111492876
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111508685) is 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is CC(CNC(=O)NCC(C)(O)C(C)C)Oc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is CPLDRNFUXYMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-11(2)16(4,21)10-19-15(20)18-9-12(3)22-14-8-6-5-7-13(14)17/h5-8,11-12,21H,9-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 312.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111508685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).