1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea

C20H24N2O3 — CID 111117104

IUPAC1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
SMILESCOc1ccccc1-c1cccc(NC(=O)NC2CCCCC2O)c1
InChIInChI=1S/C20H24N2O3/c1-25-19-12-5-2-9-16(19)14-7-6-8-15(13-14)21-20(24)22-17-10-3-4-11-18(17)23/h2,5-9,12-13,17-18,23H,3-4,10-11H2,1H3,(H2,21,22,24)
InChIKeyRBSYDZURUUAKOF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.79
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea

1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea (PubChem CID 111117104) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
PubChem CID111117104
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
SMILESCOc1ccccc1-c1cccc(NC(=O)NC2CCCCC2O)c1
InChIInChI=1S/C20H24N2O3/c1-25-19-12-5-2-9-16(19)14-7-6-8-15(13-14)21-20(24)22-17-10-3-4-11-18(17)23/h2,5-9,12-13,17-18,23H,3-4,10-11H2,1H3,(H2,21,22,24)
InChIKeyRBSYDZURUUAKOF-UHFFFAOYSA-N
XLogP3.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
CID 84597411
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
N-[3-(2-methoxyphenyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281223
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 97341846
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea (CID 111117104) is 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea is COc1ccccc1-c1cccc(NC(=O)NC2CCCCC2O)c1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea?
The InChIKey is RBSYDZURUUAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-19-12-5-2-9-16(19)14-7-6-8-15(13-14)21-20(24)22-17-10-3-4-11-18(17)23/h2,5-9,12-13,17-18,23H,3-4,10-11H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea?
1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.79, 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-[3-(2-methoxyphenyl)phenyl]urea is sourced from PubChem (CID 111117104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).