N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C20H23NO3 — CID 110770157

IUPACN-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1cc2c(cc1C)OCCO2
InChIInChI=1S/C20H23NO3/c1-3-21(14-16-7-5-4-6-8-16)20(22)13-17-12-19-18(11-15(17)2)23-9-10-24-19/h4-8,11-12H,3,9-10,13-14H2,1-2H3
InChIKeyINMMBBPVNUABTD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds5

About N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 110770157) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID110770157
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1cc2c(cc1C)OCCO2
InChIInChI=1S/C20H23NO3/c1-3-21(14-16-7-5-4-6-8-16)20(22)13-17-12-19-18(11-15(17)2)23-9-10-24-19/h4-8,11-12H,3,9-10,13-14H2,1-2H3
InChIKeyINMMBBPVNUABTD-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
CID 109022997
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
[2-[benzyl(ethyl)amino]-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623836
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 110770157) is N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cc1cc2c(cc1C)OCCO2.
What is the InChIKey of N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is INMMBBPVNUABTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-21(14-16-7-5-4-6-8-16)20(22)13-17-12-19-18(11-15(17)2)23-9-10-24-19/h4-8,11-12H,3,9-10,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 110770157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).