1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C18H27N3O3 — CID 71868592

IUPAC1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(CNC(=O)N(Cc1ccoc1)C1CCCCC1)N1CCCC1
InChIInChI=1S/C18H27N3O3/c22-17(20-9-4-5-10-20)12-19-18(23)21(13-15-8-11-24-14-15)16-6-2-1-3-7-16/h8,11,14,16H,1-7,9-10,12-13H2,(H,19,23)
InChIKeyUULXCWOTLPZFCI-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 71868592) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID71868592
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(CNC(=O)N(Cc1ccoc1)C1CCCCC1)N1CCCC1
InChIInChI=1S/C18H27N3O3/c22-17(20-9-4-5-10-20)12-19-18(23)21(13-15-8-11-24-14-15)16-6-2-1-3-7-16/h8,11,14,16H,1-7,9-10,12-13H2,(H,19,23)
InChIKeyUULXCWOTLPZFCI-UHFFFAOYSA-N
XLogP2.75
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 71868592) is 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is O=C(CNC(=O)N(Cc1ccoc1)C1CCCCC1)N1CCCC1.
What is the InChIKey of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is UULXCWOTLPZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(20-9-4-5-10-20)12-19-18(23)21(13-15-8-11-24-14-15)16-6-2-1-3-7-16/h8,11,14,16H,1-7,9-10,12-13H2,(H,19,23).
What are the key properties of 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 333.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 71868592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).