N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide

C15H25NO3 — CID 51474688

IUPACN-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H]1COC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(12-6-2-1-3-7-12)16-10-13-11-18-15(19-13)8-4-5-9-15/h12-13H,1-11H2,(H,16,17)/t13-/m1/s1
InChIKeySYNNKBFDZCSJKE-CYBMUJFWSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds3

About N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide

N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 51474688) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
PubChem CID51474688
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H]1COC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(12-6-2-1-3-7-12)16-10-13-11-18-15(19-13)8-4-5-9-15/h12-13H,1-11H2,(H,16,17)/t13-/m1/s1
InChIKeySYNNKBFDZCSJKE-CYBMUJFWSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide (CID 51474688) is N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide is O=C(NC[C@@H]1COC2(CCCC2)O1)C1CCCCC1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is SYNNKBFDZCSJKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(12-6-2-1-3-7-12)16-10-13-11-18-15(19-13)8-4-5-9-15/h12-13H,1-11H2,(H,16,17)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide?
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 51474688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).