N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide

C18H33NO — CID 174325247

IUPACN-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide
SMILESCCC1CCC2CCCC(CCNC(=O)C(C)C)C2C1
InChIInChI=1S/C18H33NO/c1-4-14-8-9-15-6-5-7-16(17(15)12-14)10-11-19-18(20)13(2)3/h13-17H,4-12H2,1-3H3,(H,19,20)
InChIKeyGTJQYPRPBGCYEO-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide

N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide (PubChem CID 174325247) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide
PubChem CID174325247
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide
SMILESCCC1CCC2CCCC(CCNC(=O)C(C)C)C2C1
InChIInChI=1S/C18H33NO/c1-4-14-8-9-15-6-5-7-16(17(15)12-14)10-11-19-18(20)13(2)3/h13-17H,4-12H2,1-3H3,(H,19,20)
InChIKeyGTJQYPRPBGCYEO-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide (CID 174325247) is N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide is CCC1CCC2CCCC(CCNC(=O)C(C)C)C2C1.
What is the InChIKey of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide?
The InChIKey is GTJQYPRPBGCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-14-8-9-15-6-5-7-16(17(15)12-14)10-11-19-18(20)13(2)3/h13-17H,4-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide?
N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide has a molecular weight of 279.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 174325247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).