1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea

C20H24N2O3 — CID 60543205

IUPAC1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
SMILESO=C(Nc1ccccc1COc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C20H24N2O3/c23-17-12-10-16(11-13-17)21-20(24)22-19-9-5-4-6-15(19)14-25-18-7-2-1-3-8-18/h1-9,16-17,23H,10-14H2,(H2,21,22,24)
InChIKeyVSHMMXRFXVHJAC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea

1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea (PubChem CID 60543205) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
PubChem CID60543205
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
SMILESO=C(Nc1ccccc1COc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C20H24N2O3/c23-17-12-10-16(11-13-17)21-20(24)22-19-9-5-4-6-15(19)14-25-18-7-2-1-3-8-18/h1-9,16-17,23H,10-14H2,(H2,21,22,24)
InChIKeyVSHMMXRFXVHJAC-UHFFFAOYSA-N
XLogP3.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
1-cyclopropyl-3-[2-(hydroxymethyl)phenyl]urea
CID 62699685
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
CID 107272559
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
(2R)-2-methyl-N-[2-(phenoxymethyl)phenyl]piperidine-1-carboxamide
CID 97092330

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea (CID 60543205) is 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea is O=C(Nc1ccccc1COc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea?
The InChIKey is VSHMMXRFXVHJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-17-12-10-16(11-13-17)21-20(24)22-19-9-5-4-6-15(19)14-25-18-7-2-1-3-8-18/h1-9,16-17,23H,10-14H2,(H2,21,22,24).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea?
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea is sourced from PubChem (CID 60543205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).