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

C14H19NO4 — CID 41412119

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccco1
InChIInChI=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
InChIKeyZPGAPGWPBCAHIG-LLVKDONJSA-N
MW265.31 g/mol
LogP2.09
Rot. Bonds3

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 NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
PubChem CID41412119
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccco1
InChIInChI=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
InChIKeyZPGAPGWPBCAHIG-LLVKDONJSA-N
XLogP2.09
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 7646991
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412155
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dimethoxybenzamide
CID 7423485
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 16955838
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975

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).