1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea

C14H22N2O2 — CID 71870681

IUPAC1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea
SMILESCCNC(=O)N(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-15-14(17)16(10-12-8-9-18-11-12)13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,15,17)
InChIKeyODDSEPAHTOYUEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea

1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea (PubChem CID 71870681) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea
PubChem CID71870681
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea
SMILESCCNC(=O)N(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-15-14(17)16(10-12-8-9-18-11-12)13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,15,17)
InChIKeyODDSEPAHTOYUEP-UHFFFAOYSA-N
XLogP3.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea (CID 71870681) is 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea is CCNC(=O)N(Cc1ccoc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea?
The InChIKey is ODDSEPAHTOYUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-15-14(17)16(10-12-8-9-18-11-12)13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,15,17).
What are the key properties of 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea?
1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea has a molecular weight of 250.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-1-(furan-3-ylmethyl)urea is sourced from PubChem (CID 71870681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).