3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C18H25FN2O3 — CID 109397107

IUPAC3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C18H25FN2O3/c1-21(11-12-4-2-7-16(12)22)18(23)20-13-8-9-17(15(19)10-13)24-14-5-3-6-14/h8-10,12,14,16,22H,2-7,11H2,1H3,(H,20,23)
InChIKeyOQFGTYNGTZRPHO-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.38
Rot. Bonds5

About 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109397107) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109397107
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C18H25FN2O3/c1-21(11-12-4-2-7-16(12)22)18(23)20-13-8-9-17(15(19)10-13)24-14-5-3-6-14/h8-10,12,14,16,22H,2-7,11H2,1H3,(H,20,23)
InChIKeyOQFGTYNGTZRPHO-UHFFFAOYSA-N
XLogP3.38
TPSA61.80 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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea 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

3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396930
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
3-(3-ethylsulfanylphenyl)-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97326881
3-(3-chloro-4-cyanophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396934
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-prop-2-enoxyphenyl)urea
CID 109397009
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109397107) is 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)Nc1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is OQFGTYNGTZRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-21(11-12-4-2-7-16(12)22)18(23)20-13-8-9-17(15(19)10-13)24-14-5-3-6-14/h8-10,12,14,16,22H,2-7,11H2,1H3,(H,20,23).
What are the key properties of 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 336.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109397107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).