1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea

C14H20N2O2 — CID 17412691

IUPAC1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-10-2-4-11(5-3-10)15-14(18)16-12-6-8-13(17)9-7-12/h2-5,12-13,17H,6-9H2,1H3,(H2,15,16,18)
InChIKeyGPBBHGHWCWJBHZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea

1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea (PubChem CID 17412691) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
PubChem CID17412691
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-10-2-4-11(5-3-10)15-14(18)16-12-6-8-13(17)9-7-12/h2-5,12-13,17H,6-9H2,1H3,(H2,15,16,18)
InChIKeyGPBBHGHWCWJBHZ-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
CID 72940252
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide
CID 47150343
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea (CID 17412691) is 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea?
The InChIKey is GPBBHGHWCWJBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-2-4-11(5-3-10)15-14(18)16-12-6-8-13(17)9-7-12/h2-5,12-13,17H,6-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea?
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 17412691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).