1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea

C18H26N2O2 — CID 71796427

IUPAC1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea
SMILESCC(Cc1ccco1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-12(5-16-3-2-4-22-16)19-17(21)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-4,12-15H,5-11H2,1H3,(H2,19,20,21)
InChIKeyBGPFFOGYFDVBFW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.48
Rot. Bonds4

About 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea

1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea (PubChem CID 71796427) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea
PubChem CID71796427
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea
SMILESCC(Cc1ccco1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-12(5-16-3-2-4-22-16)19-17(21)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-4,12-15H,5-11H2,1H3,(H2,19,20,21)
InChIKeyBGPFFOGYFDVBFW-UHFFFAOYSA-N
XLogP3.48
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea (CID 71796427) is 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea is CC(Cc1ccco1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
The InChIKey is BGPFFOGYFDVBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(5-16-3-2-4-22-16)19-17(21)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-4,12-15H,5-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[1-(furan-2-yl)propan-2-yl]urea is sourced from PubChem (CID 71796427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).