1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea

C16H24N2O2 — CID 110664080

IUPAC1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(20,13-8-4-2-5-9-13)12-17-15(19)18-14-10-6-3-7-11-14/h2,4-5,8-9,14,20H,3,6-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyATMDKLNHSRAVCM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.53
Rot. Bonds4

About 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea

1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 110664080) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID110664080
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(20,13-8-4-2-5-9-13)12-17-15(19)18-14-10-6-3-7-11-14/h2,4-5,8-9,14,20H,3,6-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyATMDKLNHSRAVCM-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea
CID 110309093
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109418197
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
N-[2-hydroxy-2-(4-phenylphenyl)propyl]cyclohexanecarboxamide
CID 90497506
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(thian-3-yl)urea
CID 75433753
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea (CID 110664080) is 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea is CC(O)(CNC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is ATMDKLNHSRAVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(20,13-8-4-2-5-9-13)12-17-15(19)18-14-10-6-3-7-11-14/h2,4-5,8-9,14,20H,3,6-7,10-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea?
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 110664080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).