1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea

C15H28N2O3 — CID 48915772

IUPAC1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NCCCOC1CCCC1)NC1CCC(O)CC1
InChIInChI=1S/C15H28N2O3/c18-13-8-6-12(7-9-13)17-15(19)16-10-3-11-20-14-4-1-2-5-14/h12-14,18H,1-11H2,(H2,16,17,19)
InChIKeyLORSRBJHIWEYGC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.94
Rot. Bonds6

About 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea

1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 48915772) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID48915772
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NCCCOC1CCCC1)NC1CCC(O)CC1
InChIInChI=1S/C15H28N2O3/c18-13-8-6-12(7-9-13)17-15(19)16-10-3-11-20-14-4-1-2-5-14/h12-14,18H,1-11H2,(H2,16,17,19)
InChIKeyLORSRBJHIWEYGC-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
CID 55794353
3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
CID 56814193

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea (CID 48915772) is 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea is O=C(NCCCOC1CCCC1)NC1CCC(O)CC1.
What is the InChIKey of 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is LORSRBJHIWEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-13-8-6-12(7-9-13)17-15(19)16-10-3-11-20-14-4-1-2-5-14/h12-14,18H,1-11H2,(H2,16,17,19).
What are the key properties of 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea?
1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 284.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 48915772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).