N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide

C18H25NO3 — CID 71787694

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide
SMILESO=C(NCCC(O)c1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO3/c20-15(16-2-1-5-22-16)3-4-19-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-2,5,12-15,20H,3-4,6-11H2,(H,19,21)
InChIKeyXEJQSOIIXZRGNS-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.04
Rot. Bonds5

About N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide

N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide (PubChem CID 71787694) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide
PubChem CID71787694
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide
SMILESO=C(NCCC(O)c1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO3/c20-15(16-2-1-5-22-16)3-4-19-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-2,5,12-15,20H,3-4,6-11H2,(H,19,21)
InChIKeyXEJQSOIIXZRGNS-UHFFFAOYSA-N
XLogP3.04
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide (CID 71787694) is N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide is O=C(NCCC(O)c1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide?
The InChIKey is XEJQSOIIXZRGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-15(16-2-1-5-22-16)3-4-19-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-2,5,12-15,20H,3-4,6-11H2,(H,19,21).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]adamantane-1-carboxamide is sourced from PubChem (CID 71787694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).