N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide

C15H25NO3 — CID 18583948

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1COC2(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)
InChIKeySYNNKBFDZCSJKE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide (PubChem CID 18583948) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide
PubChem CID18583948
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1COC2(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)
InChIKeySYNNKBFDZCSJKE-UHFFFAOYSA-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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Related Compounds

Cyclohexanecarboxamide, N-tetrahydrofurfuryl-
CID 531816
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)cyclopentanecarboxamide
CID 18583791
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)cyclohexanecarboxamide
CID 18583816
N-((1,4-dioxaspiro[4.4]nonan-2-yl)methyl)cyclopentanecarboxamide
CID 18583921
(1r,3R,5S)-N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)adamantane-1-carboxamide
CID 18583952
2-cyclopentyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 95281144
N-[(2r)-Tetrahydrofuran-2-Ylmethyl]cyclohexanecarboxamide
CID 832604
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4,4-difluorocyclohexane-1-carboxamide
CID 84598588
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97610539
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97610540
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103762519
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103762593

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide (CID 18583948) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide is O=C(NCC1COC2(CCCC2)O1)C1CCCCC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide?
The InChIKey is SYNNKBFDZCSJKE-UHFFFAOYSA-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).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)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-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 18583948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).