1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea

C18H29N3O3 — CID 71994513

IUPAC1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)N(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C18H29N3O3/c22-18(19-7-8-20-9-12-23-13-10-20)21(14-16-6-11-24-15-16)17-4-2-1-3-5-17/h6,11,15,17H,1-5,7-10,12-14H2,(H,19,22)
InChIKeyJSIMHRJBGNQTBA-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.46
Rot. Bonds6

About 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea

1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 71994513) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID71994513
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)N(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C18H29N3O3/c22-18(19-7-8-20-9-12-23-13-10-20)21(14-16-6-11-24-15-16)17-4-2-1-3-5-17/h6,11,15,17H,1-5,7-10,12-14H2,(H,19,22)
InChIKeyJSIMHRJBGNQTBA-UHFFFAOYSA-N
XLogP2.46
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea (CID 71994513) is 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)N(Cc1ccoc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is JSIMHRJBGNQTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c22-18(19-7-8-20-9-12-23-13-10-20)21(14-16-6-11-24-15-16)17-4-2-1-3-5-17/h6,11,15,17H,1-5,7-10,12-14H2,(H,19,22).
What are the key properties of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea?
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 335.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 71994513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).