N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide

C15H17NO2 — CID 25176372

IUPACN,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILES[2H]c1c([2H])c(CCN([2H])C(=O)C([2H])([2H])[2H])c2c([2H])c(OC)c([2H])c([2H])c2c1[2H]
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)/i1D3,3D,4D,5D,6D,7D,10D/hD
InChIKeyYJYPHIXNFHFHND-NWNVJADNSA-N
MW253.37 g/mol
LogP2.53
Rot. Bonds5

About N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide

N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 25176372) has the molecular formula C15H17NO2 and a molecular weight of 253.37 g/mol. Its IUPAC name is N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID25176372
Molecular FormulaC15H17NO2
Molecular Weight253.37 g/mol
Exact Mass253.19
IUPAC NameN,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILES[2H]c1c([2H])c(CCN([2H])C(=O)C([2H])([2H])[2H])c2c([2H])c(OC)c([2H])c([2H])c2c1[2H]
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)/i1D3,3D,4D,5D,6D,7D,10D/hD
InChIKeyYJYPHIXNFHFHND-NWNVJADNSA-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 ≤ 500253.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
CID 165036392
N-deuterio-N-[2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
CID 25175080
N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
CID 162641860
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl) N-methylcarbamate
CID 45038548
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533

Frequently Asked Questions

What is the IUPAC name of N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 25176372) is N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide is [2H]c1c([2H])c(CCN([2H])C(=O)C([2H])([2H])[2H])c2c([2H])c(OC)c([2H])c([2H])c2c1[2H].
What is the InChIKey of N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is YJYPHIXNFHFHND-NWNVJADNSA-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)/i1D3,3D,4D,5D,6D,7D,10D/hD.
What are the key properties of N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 253.37 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,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 25176372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).