1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea

C18H26N2O3 — CID 110933001

IUPAC1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(OC2CCCC2)c1)NC1CCCCC1O
InChIInChI=1S/C18H26N2O3/c21-17-11-4-3-10-16(17)20-18(22)19-13-6-5-9-15(12-13)23-14-7-1-2-8-14/h5-6,9,12,14,16-17,21H,1-4,7-8,10-11H2,(H2,19,20,22)
InChIKeyPJNCOPYZMANCFL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.43
Rot. Bonds4

About 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea

1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933001) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID110933001
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(OC2CCCC2)c1)NC1CCCCC1O
InChIInChI=1S/C18H26N2O3/c21-17-11-4-3-10-16(17)20-18(22)19-13-6-5-9-15(12-13)23-14-7-1-2-8-14/h5-6,9,12,14,16-17,21H,1-4,7-8,10-11H2,(H2,19,20,22)
InChIKeyPJNCOPYZMANCFL-UHFFFAOYSA-N
XLogP3.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
CID 111117104
2-amino-N-(3-cyclopentyloxyphenyl)propanamide
CID 82044663
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
N-(3-cyclopentyloxyphenyl)-5-methylfuran-2-carboxamide
CID 690631
1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 129422282
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea (CID 110933001) is 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea is O=C(Nc1cccc(OC2CCCC2)c1)NC1CCCCC1O.
What is the InChIKey of 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is PJNCOPYZMANCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17-11-4-3-10-16(17)20-18(22)19-13-6-5-9-15(12-13)23-14-7-1-2-8-14/h5-6,9,12,14,16-17,21H,1-4,7-8,10-11H2,(H2,19,20,22).
What are the key properties of 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea?
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 318.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).