N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide

C15H17NO2 — CID 25175082

IUPACN-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
SMILES[2H]N(C(C)=O)C([2H])([2H])C([2H])([2H])c1cccc2ccc(OC([2H])([2H])[2H])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)/i2D3,8D2,9D2/hD
InChIKeyYJYPHIXNFHFHND-FSBMMIORSA-N
MW251.35 g/mol
LogP2.53
Rot. Bonds5

About N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide

N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide (PubChem CID 25175082) has the molecular formula C15H17NO2 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
PubChem CID25175082
Molecular FormulaC15H17NO2
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
SMILES[2H]N(C(C)=O)C([2H])([2H])C([2H])([2H])c1cccc2ccc(OC([2H])([2H])[2H])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)/i2D3,8D2,9D2/hD
InChIKeyYJYPHIXNFHFHND-FSBMMIORSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-deuterio-N-[2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
CID 25175080
N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25174420
1-ethyl-7-(trideuteriomethoxy)naphthalene
CID 59140735
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
CID 115506313

Frequently Asked Questions

What is the IUPAC name of N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide (CID 25175082) is N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide is [2H]N(C(C)=O)C([2H])([2H])C([2H])([2H])c1cccc2ccc(OC([2H])([2H])[2H])cc12.
What is the InChIKey of N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide?
The InChIKey is YJYPHIXNFHFHND-FSBMMIORSA-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)/i2D3,8D2,9D2/hD.
What are the key properties of N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide?
N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide has a molecular weight of 251.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-N-[1,1,2,2-tetradeuterio-2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 25175082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).