N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide

C20H24N2O — CID 910634

IUPACN-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide
SMILESCCCC(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C20H24N2O/c1-2-8-18(23)22-19-16-10-5-4-9-15(16)13-20(17(19)14-21)11-6-3-7-12-20/h4-5,9-10H,2-3,6-8,11-13H2,1H3,(H,22,23)
InChIKeyYBXHRGXOWRUNTD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.34
Rot. Bonds3

About N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide

N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide (PubChem CID 910634) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide
PubChem CID910634
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide
SMILESCCCC(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C20H24N2O/c1-2-8-18(23)22-19-16-10-5-4-9-15(16)13-20(17(19)14-21)11-6-3-7-12-20/h4-5,9-10H,2-3,6-8,11-13H2,1H3,(H,22,23)
InChIKeyYBXHRGXOWRUNTD-UHFFFAOYSA-N
XLogP4.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide?
The IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide (CID 910634) is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide.
What is the SMILES notation for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide?
The canonical SMILES for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide is CCCC(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21.
What is the InChIKey of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide?
The InChIKey is YBXHRGXOWRUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-8-18(23)22-19-16-10-5-4-9-15(16)13-20(17(19)14-21)11-6-3-7-12-20/h4-5,9-10H,2-3,6-8,11-13H2,1H3,(H,22,23).
What are the key properties of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide?
N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide has a molecular weight of 308.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)butanamide is sourced from PubChem (CID 910634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).