N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide

C29H51NO — CID 156575985

IUPACN-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide
SMILESCC(=O)NC12CCC(C3CCCCCC(C4CCCCCCCCC4)CC3)(CC1)CC2
InChIInChI=1S/C29H51NO/c1-24(31)30-29-21-18-28(19-22-29,20-23-29)27-15-11-7-10-14-26(16-17-27)25-12-8-5-3-2-4-6-9-13-25/h25-27H,2-23H2,1H3,(H,30,31)
InChIKeyJZZAXCAKKKFEKD-UHFFFAOYSA-N
MW429.73 g/mol
LogP8.33
Rot. Bonds3

About N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide

N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide (PubChem CID 156575985) has the molecular formula C29H51NO and a molecular weight of 429.73 g/mol. Its IUPAC name is N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide
PubChem CID156575985
Molecular FormulaC29H51NO
Molecular Weight429.73 g/mol
Exact Mass429.40
IUPAC NameN-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide
SMILESCC(=O)NC12CCC(C3CCCCCC(C4CCCCCCCCC4)CC3)(CC1)CC2
InChIInChI=1S/C29H51NO/c1-24(31)30-29-21-18-28(19-22-29,20-23-29)27-15-11-7-10-14-26(16-17-27)25-12-8-5-3-2-4-6-9-13-25/h25-27H,2-23H2,1H3,(H,30,31)
InChIKeyJZZAXCAKKKFEKD-UHFFFAOYSA-N
XLogP8.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide with MolForge

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Related Compounds

N-(4-propylbicyclo[2.2.2]oct-1-yl)acetamide
CID 775434
N-(1-methyl-4-bicyclo[2.2.2]octanyl)acetamide
CID 537645
(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide
CID 58916567
2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide
CID 70947810
N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide
CID 123999702
N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide
CID 130444008
N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 146393510
N-[4-(4-cyclononylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide
CID 156575706
N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide
CID 156575736
1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 158111629
N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide
CID 165385843
N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)acetamide
CID 169625622

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide?
The IUPAC name of N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide (CID 156575985) is N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide.
What is the SMILES notation for N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide?
The canonical SMILES for N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide is CC(=O)NC12CCC(C3CCCCCC(C4CCCCCCCCC4)CC3)(CC1)CC2.
What is the InChIKey of N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide?
The InChIKey is JZZAXCAKKKFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51NO/c1-24(31)30-29-21-18-28(19-22-29,20-23-29)27-15-11-7-10-14-26(16-17-27)25-12-8-5-3-2-4-6-9-13-25/h25-27H,2-23H2,1H3,(H,30,31).
What are the key properties of N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide?
N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide has a molecular weight of 429.73 g/mol, XLogP of 8.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclodecylcyclononyl)-1-bicyclo[2.2.2]octanyl]acetamide is sourced from PubChem (CID 156575985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).