1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea

C20H30N2O3 — CID 86943887

IUPAC1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NCc1cccc(OC2CCCCC2)c1)NC1CCCCC1O
InChIInChI=1S/C20H30N2O3/c23-19-12-5-4-11-18(19)22-20(24)21-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h6-7,10,13,16,18-19,23H,1-5,8-9,11-12,14H2,(H2,21,22,24)
InChIKeyGKZMHNASULEMCC-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.50
Rot. Bonds5

About 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea

1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 86943887) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
PubChem CID86943887
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NCc1cccc(OC2CCCCC2)c1)NC1CCCCC1O
InChIInChI=1S/C20H30N2O3/c23-19-12-5-4-11-18(19)22-20(24)21-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h6-7,10,13,16,18-19,23H,1-5,8-9,11-12,14H2,(H2,21,22,24)
InChIKeyGKZMHNASULEMCC-UHFFFAOYSA-N
XLogP3.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213
1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
CID 166213239
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 86941870
4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
CID 86943396

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea (CID 86943887) is 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea is O=C(NCc1cccc(OC2CCCCC2)c1)NC1CCCCC1O.
What is the InChIKey of 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is GKZMHNASULEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-19-12-5-4-11-18(19)22-20(24)21-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h6-7,10,13,16,18-19,23H,1-5,8-9,11-12,14H2,(H2,21,22,24).
What are the key properties of 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea?
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 346.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 86943887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).