1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea

C21H26N2O4 — CID 119061128

IUPAC1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
SMILESO=C(NCC(O)c1cccc(Oc2ccccc2)c1)NC1CCC(O)CC1
InChIInChI=1S/C21H26N2O4/c24-17-11-9-16(10-12-17)23-21(26)22-14-20(25)15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-8,13,16-17,20,24-25H,9-12,14H2,(H2,22,23,26)
InChIKeyGWQSWNKEOWUDOL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea

1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea (PubChem CID 119061128) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
PubChem CID119061128
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
SMILESO=C(NCC(O)c1cccc(Oc2ccccc2)c1)NC1CCC(O)CC1
InChIInChI=1S/C21H26N2O4/c24-17-11-9-16(10-12-17)23-21(26)22-14-20(25)15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-8,13,16-17,20,24-25H,9-12,14H2,(H2,22,23,26)
InChIKeyGWQSWNKEOWUDOL-UHFFFAOYSA-N
XLogP3.12
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 74241723
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425
2-[ethyl-[3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122025491
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea (CID 119061128) is 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea is O=C(NCC(O)c1cccc(Oc2ccccc2)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea?
The InChIKey is GWQSWNKEOWUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-17-11-9-16(10-12-17)23-21(26)22-14-20(25)15-5-4-8-19(13-15)27-18-6-2-1-3-7-18/h1-8,13,16-17,20,24-25H,9-12,14H2,(H2,22,23,26).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea?
1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea has a molecular weight of 370.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea is sourced from PubChem (CID 119061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).