1-cyclohexyl-3-(2-propoxyphenyl)urea

C16H24N2O2 — CID 47103328

IUPAC1-cyclohexyl-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-2-12-20-15-11-7-6-10-14(15)18-16(19)17-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,17,18,19)
InChIKeyKSQXSDLFPCOFCB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.93
Rot. Bonds5

About 1-cyclohexyl-3-(2-propoxyphenyl)urea

1-cyclohexyl-3-(2-propoxyphenyl)urea (PubChem CID 47103328) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-propoxyphenyl)urea
PubChem CID47103328
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-2-12-20-15-11-7-6-10-14(15)18-16(19)17-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,17,18,19)
InChIKeyKSQXSDLFPCOFCB-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
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
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
N-cyclohexyl-2-propoxyaniline
CID 43682292
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
1,3-bis(2-butoxyphenyl)urea
CID 17170447

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-propoxyphenyl)urea (CID 47103328) is 1-cyclohexyl-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-propoxyphenyl)urea?
The InChIKey is KSQXSDLFPCOFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-12-20-15-11-7-6-10-14(15)18-16(19)17-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(2-propoxyphenyl)urea?
1-cyclohexyl-3-(2-propoxyphenyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 47103328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).