1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea

C22H29N3O2 — CID 3244432

IUPAC1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea
SMILESCCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccncc2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)25(20-7-5-4-6-8-20)17(2)18-13-15-23-16-14-18/h9-17,20H,3-8H2,1-2H3,(H,24,26)
InChIKeyXEYVOAAFCVJQIS-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.41
Rot. Bonds6

About 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea

1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea (PubChem CID 3244432) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea
PubChem CID3244432
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea
SMILESCCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccncc2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)25(20-7-5-4-6-8-20)17(2)18-13-15-23-16-14-18/h9-17,20H,3-8H2,1-2H3,(H,24,26)
InChIKeyXEYVOAAFCVJQIS-UHFFFAOYSA-N
XLogP5.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea (CID 3244432) is 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea is CCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccncc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea?
The InChIKey is XEYVOAAFCVJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)25(20-7-5-4-6-8-20)17(2)18-13-15-23-16-14-18/h9-17,20H,3-8H2,1-2H3,(H,24,26).
What are the key properties of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea?
1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea has a molecular weight of 367.49 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 3244432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).