1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea

C16H24N2O2 — CID 840552

IUPAC1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeyRRBIHUBUQNRLST-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea

1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 840552) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID840552
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeyRRBIHUBUQNRLST-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea (CID 840552) is 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is RRBIHUBUQNRLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea?
1-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.87, 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-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 840552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).