4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide

C20H33NO2 — CID 143146998

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide
SMILESCC(C(=O)NC(=O)CCCC1CC2CCC1C2)C1CCCCC1
InChIInChI=1S/C20H33NO2/c1-14(16-6-3-2-4-7-16)20(23)21-19(22)9-5-8-17-12-15-10-11-18(17)13-15/h14-18H,2-13H2,1H3,(H,21,22,23)
InChIKeyJXKVIWMJVBVHLI-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.45
Rot. Bonds6

About 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide

4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide (PubChem CID 143146998) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide
PubChem CID143146998
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide
SMILESCC(C(=O)NC(=O)CCCC1CC2CCC1C2)C1CCCCC1
InChIInChI=1S/C20H33NO2/c1-14(16-6-3-2-4-7-16)20(23)21-19(22)9-5-8-17-12-15-10-11-18(17)13-15/h14-18H,2-13H2,1H3,(H,21,22,23)
InChIKeyJXKVIWMJVBVHLI-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide
CID 24832514
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547875
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682016
3-(2-bicyclo[2.2.1]heptanyl)-1-cyclohexyl-1-ethoxypropan-2-one
CID 116751322
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide (CID 143146998) is 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide is CC(C(=O)NC(=O)CCCC1CC2CCC1C2)C1CCCCC1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide?
The InChIKey is JXKVIWMJVBVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-14(16-6-3-2-4-7-16)20(23)21-19(22)9-5-8-17-12-15-10-11-18(17)13-15/h14-18H,2-13H2,1H3,(H,21,22,23).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide?
4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide has a molecular weight of 319.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide is sourced from PubChem (CID 143146998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).