1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea

C17H26N2O3 — CID 109396973

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)N(C)CC1CCCC1O
InChIInChI=1S/C17H26N2O3/c1-12(2)22-16-10-5-4-8-14(16)18-17(21)19(3)11-13-7-6-9-15(13)20/h4-5,8,10,12-13,15,20H,6-7,9,11H2,1-3H3,(H,18,21)
InChIKeyFKMPLGZAAJRBLT-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.10
Rot. Bonds5

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 109396973) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
PubChem CID109396973
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)N(C)CC1CCCC1O
InChIInChI=1S/C17H26N2O3/c1-12(2)22-16-10-5-4-8-14(16)18-17(21)19(3)11-13-7-6-9-15(13)20/h4-5,8,10,12-13,15,20H,6-7,9,11H2,1-3H3,(H,18,21)
InChIKeyFKMPLGZAAJRBLT-UHFFFAOYSA-N
XLogP3.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)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

3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 97326930
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 98874227

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea (CID 109396973) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea is CC(C)Oc1ccccc1NC(=O)N(C)CC1CCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is FKMPLGZAAJRBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)22-16-10-5-4-8-14(16)18-17(21)19(3)11-13-7-6-9-15(13)20/h4-5,8,10,12-13,15,20H,6-7,9,11H2,1-3H3,(H,18,21).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 306.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 109396973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).