N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide

C15H22N2O4 — CID 104923517

IUPACN-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cc(OC)c2c(c1)OCCO2
InChIInChI=1S/C15H22N2O4/c1-4-17(2)14(18)10-16-9-11-7-12(19-3)15-13(8-11)20-5-6-21-15/h7-8,16H,4-6,9-10H2,1-3H3
InChIKeyNHYHULAJTRIZBK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.03
Rot. Bonds6

About N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide

N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide (PubChem CID 104923517) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide
PubChem CID104923517
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cc(OC)c2c(c1)OCCO2
InChIInChI=1S/C15H22N2O4/c1-4-17(2)14(18)10-16-9-11-7-12(19-3)15-13(8-11)20-5-6-21-15/h7-8,16H,4-6,9-10H2,1-3H3
InChIKeyNHYHULAJTRIZBK-UHFFFAOYSA-N
XLogP1.03
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N,N-dimethylacetamide
CID 60658456
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-ethyl-N-methylacetamide
CID 104923422
2-chloro-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]prop-2-en-1-amine
CID 115635519
N',N'-diethyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethane-1,2-diamine
CID 60692548
2-[(3,5-dimethoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923347
1-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 32669709
1-cyclobutyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 60790517
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine
CID 61166639
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 30610505
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]but-2-yn-1-amine
CID 113342021
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide (CID 104923517) is N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide is CCN(C)C(=O)CNCc1cc(OC)c2c(c1)OCCO2.
What is the InChIKey of N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide?
The InChIKey is NHYHULAJTRIZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(2)14(18)10-16-9-11-7-12(19-3)15-13(8-11)20-5-6-21-15/h7-8,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide?
N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide has a molecular weight of 294.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 104923517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).