N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide

C15H22N2O4 — CID 62326560

IUPACN-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
SMILESCCNCc1cc2c(cc1OCCC(=O)NCC)OCO2
InChIInChI=1S/C15H22N2O4/c1-3-16-9-11-7-13-14(21-10-20-13)8-12(11)19-6-5-15(18)17-4-2/h7-8,16H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyZEJPCWBTQRHIMU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.43
Rot. Bonds8

About N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide

N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide (PubChem CID 62326560) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
PubChem CID62326560
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
SMILESCCNCc1cc2c(cc1OCCC(=O)NCC)OCO2
InChIInChI=1S/C15H22N2O4/c1-3-16-9-11-7-13-14(21-10-20-13)8-12(11)19-6-5-15(18)17-4-2/h7-8,16H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyZEJPCWBTQRHIMU-UHFFFAOYSA-N
XLogP1.43
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(propylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanoate
CID 63949508
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
N-[[6-(2-methylsulfanylethoxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
CID 113473346
3-[[6-(aminomethyl)-1,3-benzodioxol-5-yl]oxy]-N-methylpropanamide
CID 62326377
N-[(6-butoxy-1,3-benzodioxol-5-yl)methyl]propan-1-amine
CID 55011771
2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
CID 55012394
N-[[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]methyl]-2-methylpropan-1-amine
CID 63061031
4-[[[6-(2-methoxyethoxy)-1,3-benzodioxol-5-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962037
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
CID 2081460
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
The IUPAC name of N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide (CID 62326560) is N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide.
What is the SMILES notation for N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
The canonical SMILES for N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide is CCNCc1cc2c(cc1OCCC(=O)NCC)OCO2.
What is the InChIKey of N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
The InChIKey is ZEJPCWBTQRHIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-16-9-11-7-13-14(21-10-20-13)8-12(11)19-6-5-15(18)17-4-2/h7-8,16H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide is sourced from PubChem (CID 62326560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).