N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

C15H17NO2 — CID 25174420

IUPACN-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILES[2H]C([2H])(NC(C)=O)C([2H])([2H])c1cccc2ccc(OC)cc12
InChIInChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)/i8D2,9D2
InChIKeyYJYPHIXNFHFHND-LZMSFWOYSA-N
MW247.33 g/mol
LogP2.53
Rot. Bonds4

About N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 25174420) has the molecular formula C15H17NO2 and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID25174420
Molecular FormulaC15H17NO2
Molecular Weight247.33 g/mol
Exact Mass247.15
IUPAC NameN-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILES[2H]C([2H])(NC(C)=O)C([2H])([2H])c1cccc2ccc(OC)cc12
InChIInChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)/i8D2,9D2
InChIKeyYJYPHIXNFHFHND-LZMSFWOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
CID 25175082
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
CID 72702442
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 71521838
[3-acetamido-2-(7-methoxynaphthalen-1-yl)propyl] methanesulfonate
CID 86617345

Frequently Asked Questions

What is the IUPAC name of N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 25174420) is N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is [2H]C([2H])(NC(C)=O)C([2H])([2H])c1cccc2ccc(OC)cc12.
What is the InChIKey of N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is YJYPHIXNFHFHND-LZMSFWOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)/i8D2,9D2.
What are the key properties of N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 247.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 25174420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).