N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide

C17H23NO — CID 18463125

IUPACN-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide
SMILESO=C(NC12CCCCC1CCCC2)c1ccccc1
InChIInChI=1S/C17H23NO/c19-16(14-8-2-1-3-9-14)18-17-12-6-4-10-15(17)11-5-7-13-17/h1-3,8-9,15H,4-7,10-13H2,(H,18,19)
InChIKeyBONNSLVVHLUJHD-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.92
Rot. Bonds2

About N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide

N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide (PubChem CID 18463125) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide
PubChem CID18463125
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide
SMILESO=C(NC12CCCCC1CCCC2)c1ccccc1
InChIInChI=1S/C17H23NO/c19-16(14-8-2-1-3-9-14)18-17-12-6-4-10-15(17)11-5-7-13-17/h1-3,8-9,15H,4-7,10-13H2,(H,18,19)
InChIKeyBONNSLVVHLUJHD-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide?
The IUPAC name of N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide (CID 18463125) is N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide.
What is the SMILES notation for N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide?
The canonical SMILES for N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide is O=C(NC12CCCCC1CCCC2)c1ccccc1.
What is the InChIKey of N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide?
The InChIKey is BONNSLVVHLUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-16(14-8-2-1-3-9-14)18-17-12-6-4-10-15(17)11-5-7-13-17/h1-3,8-9,15H,4-7,10-13H2,(H,18,19).
What are the key properties of N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide?
N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide has a molecular weight of 257.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide is sourced from PubChem (CID 18463125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).