3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C17H25ClN2O3 — CID 109398774

IUPAC3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCC(CNC(=O)N(C)CC1CCCC1O)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-12(23-15-8-6-14(18)7-9-15)10-19-17(22)20(2)11-13-4-3-5-16(13)21/h6-9,12-13,16,21H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyZGIRGTDPCGFTFP-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.91
Rot. Bonds6

About 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109398774) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109398774
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCC(CNC(=O)N(C)CC1CCCC1O)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-12(23-15-8-6-14(18)7-9-15)10-19-17(22)20(2)11-13-4-3-5-16(13)21/h6-9,12-13,16,21H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyZGIRGTDPCGFTFP-UHFFFAOYSA-N
XLogP2.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-chlorophenoxy)propyl]-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

1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 97326930
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991264
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396930
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109398774) is 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CC(CNC(=O)N(C)CC1CCCC1O)Oc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is ZGIRGTDPCGFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(23-15-8-6-14(18)7-9-15)10-19-17(22)20(2)11-13-4-3-5-16(13)21/h6-9,12-13,16,21H,3-5,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 340.85 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109398774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).