1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea

C19H24N2O2 — CID 719993

IUPAC1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H24N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,20,22)
InChIKeyVHCFZJMFXDXAOX-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.32
Rot. Bonds5

About 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea

1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea (PubChem CID 719993) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea
PubChem CID719993
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H24N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,20,22)
InChIKeyVHCFZJMFXDXAOX-UHFFFAOYSA-N
XLogP4.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea (CID 719993) is 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea is O=C(NC1CCCCC1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea?
The InChIKey is VHCFZJMFXDXAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,20,22).
What are the key properties of 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea?
1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 719993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).