1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea

C16H24N2O3 — CID 110890850

IUPAC1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H24N2O3/c1-2-11-21-15-6-4-3-5-14(15)18-16(20)17-12-7-9-13(19)10-8-12/h3-6,12-13,19H,2,7-11H2,1H3,(H2,17,18,20)
InChIKeyHTCRKXPLXNWAKT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea

1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea (PubChem CID 110890850) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
PubChem CID110890850
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H24N2O3/c1-2-11-21-15-6-4-3-5-14(15)18-16(20)17-12-7-9-13(19)10-8-12/h3-6,12-13,19H,2,7-11H2,1H3,(H2,17,18,20)
InChIKeyHTCRKXPLXNWAKT-UHFFFAOYSA-N
XLogP2.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
CID 14763328
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094575
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 60554326
methyl N-(2-propoxyphenyl)carbamate
CID 19872099

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea (CID 110890850) is 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea?
The InChIKey is HTCRKXPLXNWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-11-21-15-6-4-3-5-14(15)18-16(20)17-12-7-9-13(19)10-8-12/h3-6,12-13,19H,2,7-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea?
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.90, 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-propoxyphenyl)urea is sourced from PubChem (CID 110890850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).