2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide

C19H33NO3 — CID 139724792

IUPAC2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(C2CCC(CCC3OCCO3)CC2)CC1
InChIInChI=1S/C19H33NO3/c20-18(21)13-15-3-8-17(9-4-15)16-6-1-14(2-7-16)5-10-19-22-11-12-23-19/h14-17,19H,1-13H2,(H2,20,21)
InChIKeyACZDTRCCZJGTGQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide

2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide (PubChem CID 139724792) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide
PubChem CID139724792
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(C2CCC(CCC3OCCO3)CC2)CC1
InChIInChI=1S/C19H33NO3/c20-18(21)13-15-3-8-17(9-4-15)16-6-1-14(2-7-16)5-10-19-22-11-12-23-19/h14-17,19H,1-13H2,(H2,20,21)
InChIKeyACZDTRCCZJGTGQ-UHFFFAOYSA-N
XLogP3.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]ethyl]-1,3-dioxolane
CID 54389969
2-cyclodecylacetamide
CID 150110792
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
2-[4-(3-methylpentyl)cyclohexyl]acetamide
CID 118946939
3-cyclopropylpropanamide
CID 53414720
2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
CID 166732225
2-(dioxolan-4-yl)acetamide
CID 87931797
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
CID 69125498
2-[4-(2-fluoroethoxy)cyclohexyl]acetamide
CID 142642626
2-[1-[2-(4-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782565

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide?
The IUPAC name of 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide (CID 139724792) is 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide is NC(=O)CC1CCC(C2CCC(CCC3OCCO3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide?
The InChIKey is ACZDTRCCZJGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c20-18(21)13-15-3-8-17(9-4-15)16-6-1-14(2-7-16)5-10-19-22-11-12-23-19/h14-17,19H,1-13H2,(H2,20,21).
What are the key properties of 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide?
2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide has a molecular weight of 323.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]cyclohexyl]cyclohexyl]acetamide is sourced from PubChem (CID 139724792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).