1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea

C16H24N2O3 — CID 110933007

IUPAC1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NC1CCCCC1O
InChIInChI=1S/C16H24N2O3/c1-11(2)21-15-10-6-4-8-13(15)18-16(20)17-12-7-3-5-9-14(12)19/h4,6,8,10-12,14,19H,3,5,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyXYKXFUXVBDXLOC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.90
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea

1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 110933007) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
PubChem CID110933007
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NC1CCCCC1O
InChIInChI=1S/C16H24N2O3/c1-11(2)21-15-10-6-4-8-13(15)18-16(20)17-12-7-3-5-9-14(12)19/h4,6,8,10-12,14,19H,3,5,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyXYKXFUXVBDXLOC-UHFFFAOYSA-N
XLogP2.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 56518924
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110933256

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea (CID 110933007) is 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea is CC(C)Oc1ccccc1NC(=O)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is XYKXFUXVBDXLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)21-15-10-6-4-8-13(15)18-16(20)17-12-7-3-5-9-14(12)19/h4,6,8,10-12,14,19H,3,5,7,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea?
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 110933007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).