N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide

C15H19NO3 — CID 91483129

IUPACN-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=COC(CC2=CC=CCC2)=CO1
InChIInChI=1S/C15H19NO3/c1-12(17)16-8-7-14-10-19-15(11-18-14)9-13-5-3-2-4-6-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,16,17)
InChIKeyVSSNYLNYRGNVRW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide

N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide (PubChem CID 91483129) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide
PubChem CID91483129
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=COC(CC2=CC=CCC2)=CO1
InChIInChI=1S/C15H19NO3/c1-12(17)16-8-7-14-10-19-15(11-18-14)9-13-5-3-2-4-6-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,16,17)
InChIKeyVSSNYLNYRGNVRW-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 91131453
cyclohexa-1,3-dien-1-ylmethyl N-pentylcarbamate
CID 169149930
2-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxathiine
CID 90732158
6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxazine-2,4-dicarboxylic acid
CID 91440135
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide
CID 91371366
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanone
CID 91517697
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
1-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-[4-(2-prop-2-enylphenoxy)butyl]piperazine
CID 90765772
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
CID 163751542
N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide (CID 91483129) is N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide is CC(=O)NCCC1=COC(CC2=CC=CCC2)=CO1.
What is the InChIKey of N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide?
The InChIKey is VSSNYLNYRGNVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(17)16-8-7-14-10-19-15(11-18-14)9-13-5-3-2-4-6-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,16,17).
What are the key properties of N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide?
N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide is sourced from PubChem (CID 91483129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).