N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide

C30H53NO — CID 156575736

IUPACN-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide
SMILESCC(=O)NC12CCC(C3CCCCCCC(C4CCCCCCCC4)CCC3)(CC1)CC2
InChIInChI=1S/C30H53NO/c1-25(32)31-30-22-19-29(20-23-30,21-24-30)28-17-11-7-6-10-15-27(16-12-18-28)26-13-8-4-2-3-5-9-14-26/h26-28H,2-24H2,1H3,(H,31,32)
InChIKeyIQLJGTOBOQLROI-UHFFFAOYSA-N
MW443.76 g/mol
LogP8.72
Rot. Bonds3

About N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide

N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide (PubChem CID 156575736) has the molecular formula C30H53NO and a molecular weight of 443.76 g/mol. Its IUPAC name is N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide
PubChem CID156575736
Molecular FormulaC30H53NO
Molecular Weight443.76 g/mol
Exact Mass443.41
IUPAC NameN-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide
SMILESCC(=O)NC12CCC(C3CCCCCCC(C4CCCCCCCC4)CCC3)(CC1)CC2
InChIInChI=1S/C30H53NO/c1-25(32)31-30-22-19-29(20-23-30,21-24-30)28-17-11-7-6-10-15-27(16-12-18-28)26-13-8-4-2-3-5-9-14-26/h26-28H,2-24H2,1H3,(H,31,32)
InChIKeyIQLJGTOBOQLROI-UHFFFAOYSA-N
XLogP8.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-propylbicyclo[2.2.2]oct-1-yl)acetamide
CID 775434
3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 146393507
molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 153404877
N-(1-methyl-4-bicyclo[2.2.2]octanyl)acetamide
CID 537645
N-(1-adamantan-1-yl)-2-methylpropan-2-yl)acetamide
CID 20319709
(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide
CID 58916567
N-(4-tert-butyl-1-methylcyclohexyl)acetamide
CID 58959065
N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 59932772
N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide
CID 69278397
2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide
CID 70947810
N-(Bicyclo[2.2.2]octan-1-yl)acetamide
CID 71372236
N-(1,2-dimethyl-2-adamantyl)acetamide
CID 77700404

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide?
The IUPAC name of N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide (CID 156575736) is N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide.
What is the SMILES notation for N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide?
The canonical SMILES for N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide is CC(=O)NC12CCC(C3CCCCCCC(C4CCCCCCCC4)CCC3)(CC1)CC2.
What is the InChIKey of N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide?
The InChIKey is IQLJGTOBOQLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NO/c1-25(32)31-30-22-19-29(20-23-30,21-24-30)28-17-11-7-6-10-15-27(16-12-18-28)26-13-8-4-2-3-5-9-14-26/h26-28H,2-24H2,1H3,(H,31,32).
What are the key properties of N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide?
N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide has a molecular weight of 443.76 g/mol, XLogP of 8.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclononylcycloundecyl)-1-bicyclo[2.2.2]octanyl]acetamide is sourced from PubChem (CID 156575736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).