1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea

C14H20N2O3 — CID 47217884

IUPAC1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
SMILESO=C(NOCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C14H20N2O3/c17-13-8-6-12(7-9-13)15-14(18)16-19-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,15,16,18)
InChIKeyGNPXMIWFEVUUEZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea

1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea (PubChem CID 47217884) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
PubChem CID47217884
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
SMILESO=C(NOCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C14H20N2O3/c17-13-8-6-12(7-9-13)15-14(18)16-19-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,15,16,18)
InChIKeyGNPXMIWFEVUUEZ-UHFFFAOYSA-N
XLogP1.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea
CID 75407560
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
1-cyclopropyl-3-(2-phenoxyethoxy)urea
CID 110311307
2-(4-hydroxypiperidin-1-yl)-N-phenylmethoxyacetamide
CID 110881841
1-methyl-3-phenylmethoxyurea
CID 14227198
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea (CID 47217884) is 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea is O=C(NOCc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea?
The InChIKey is GNPXMIWFEVUUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-8-6-12(7-9-13)15-14(18)16-19-10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,15,16,18).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea?
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea has a molecular weight of 264.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea is sourced from PubChem (CID 47217884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).