N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide

C₁₄H₁₉NO₄ — CID 41412119

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide (PubChem CID 41412119) has the molecular formula C₁₄H₁₉NO₄ and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
• PubChem CID: 41412119
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.13
• IUPAC Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
• SMILES: O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccco1
• InChI: InChI=1S/C14H19NO4/c16-13(12-5-4-8-17-12)15-9-11-10-18-14(19-11)6-2-1-3-7-14/h4-5,8,11H,1-3,6-7,9-10H2,(H,15,16)/t11-/m1/s1
• InChIKey: ZPGAPGWPBCAHIG-LLVKDONJSA-N
• XLogP: 2.09
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide (CID 41412119) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide is O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccco1.

What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide?

The InChIKey is ZPGAPGWPBCAHIG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13(12-5-4-8-17-12)15-9-11-10-18-14(19-11)6-2-1-3-7-14/h4-5,8,11H,1-3,6-7,9-10H2,(H,15,16)/t11-/m1/s1.

What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide?

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 41412119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 41412119 — identifiers, structure, computed properties (public domain)

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