3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

C19H28N2O3 — CID 71804046

IUPAC3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O3/c1-23-5-3-21(12-14-2-4-24-13-14)18(22)20-19-9-15-6-16(10-19)8-17(7-15)11-19/h2,4,13,15-17H,3,5-12H2,1H3,(H,20,22)
InChIKeyYQSMUDSCDXEXOL-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.41
Rot. Bonds6

About 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 71804046) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID71804046
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O3/c1-23-5-3-21(12-14-2-4-24-13-14)18(22)20-19-9-15-6-16(10-19)8-17(7-15)11-19/h2,4,13,15-17H,3,5-12H2,1H3,(H,20,22)
InChIKeyYQSMUDSCDXEXOL-UHFFFAOYSA-N
XLogP3.41
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (CID 71804046) is 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccoc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is YQSMUDSCDXEXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-5-3-21(12-14-2-4-24-13-14)18(22)20-19-9-15-6-16(10-19)8-17(7-15)11-19/h2,4,13,15-17H,3,5-12H2,1H3,(H,20,22).
What are the key properties of 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 332.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 71804046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).