N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide

C23H41NO2 — CID 166327460

IUPACN-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide
SMILESCC1(C)CCCC(C(C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C23H41NO2/c1-21(2)10-6-7-19(16-21)22(3,26)17-24-20(25)15-18-8-13-23(14-9-18)11-4-5-12-23/h18-19,26H,4-17H2,1-3H3,(H,24,25)
InChIKeyDEZIJZLLTCNUQY-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.21
Rot. Bonds5

About N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide

N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide (PubChem CID 166327460) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide
PubChem CID166327460
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC NameN-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide
SMILESCC1(C)CCCC(C(C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C23H41NO2/c1-21(2)10-6-7-19(16-21)22(3,26)17-24-20(25)15-18-8-13-23(14-9-18)11-4-5-12-23/h18-19,26H,4-17H2,1-3H3,(H,24,25)
InChIKeyDEZIJZLLTCNUQY-UHFFFAOYSA-N
XLogP5.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide?
The IUPAC name of N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide (CID 166327460) is N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide.
What is the SMILES notation for N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide?
The canonical SMILES for N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide is CC1(C)CCCC(C(C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1.
What is the InChIKey of N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide?
The InChIKey is DEZIJZLLTCNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-21(2)10-6-7-19(16-21)22(3,26)17-24-20(25)15-18-8-13-23(14-9-18)11-4-5-12-23/h18-19,26H,4-17H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide?
N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide has a molecular weight of 363.59 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide is sourced from PubChem (CID 166327460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).