ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide

C17H29NO — CID 153344153

IUPACethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide
SMILESCC.CC(C)C(=O)N(C)C1CCCC2=C1C=CCC2
InChIInChI=1S/C15H23NO.C2H6/c1-11(2)15(17)16(3)14-10-6-8-12-7-4-5-9-13(12)14;1-2/h5,9,11,14H,4,6-8,10H2,1-3H3;1-2H3
InChIKeyFJBKXCJWBKNDER-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.33
Rot. Bonds2

About ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide

ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide (PubChem CID 153344153) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Nameethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide
PubChem CID153344153
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide
SMILESCC.CC(C)C(=O)N(C)C1CCCC2=C1C=CCC2
InChIInChI=1S/C15H23NO.C2H6/c1-11(2)15(17)16(3)14-10-6-8-12-7-4-5-9-13(12)14;1-2/h5,9,11,14H,4,6-8,10H2,1-3H3;1-2H3
InChIKeyFJBKXCJWBKNDER-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide?
The IUPAC name of ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide (CID 153344153) is ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide?
The canonical SMILES for ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide is CC.CC(C)C(=O)N(C)C1CCCC2=C1C=CCC2.
What is the InChIKey of ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide?
The InChIKey is FJBKXCJWBKNDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C2H6/c1-11(2)15(17)16(3)14-10-6-8-12-7-4-5-9-13(12)14;1-2/h5,9,11,14H,4,6-8,10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide?
ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide has a molecular weight of 263.43 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 153344153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).