2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide

C13H18N2O4 — CID 55012394

IUPAC2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
SMILESCCNCc1cc2c(cc1OC(C)C(N)=O)OCO2
InChIInChI=1S/C13H18N2O4/c1-3-15-6-9-4-11-12(18-7-17-11)5-10(9)19-8(2)13(14)16/h4-5,8,15H,3,6-7H2,1-2H3,(H2,14,16)
InChIKeyPQMYNHBNGQSTGX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.78
Rot. Bonds6

About 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide

2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide (PubChem CID 55012394) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide.

Molecular Properties

Compound Name2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
PubChem CID55012394
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
SMILESCCNCc1cc2c(cc1OC(C)C(N)=O)OCO2
InChIInChI=1S/C13H18N2O4/c1-3-15-6-9-4-11-12(18-7-17-11)5-10(9)19-8(2)13(14)16/h4-5,8,15H,3,6-7H2,1-2H3,(H2,14,16)
InChIKeyPQMYNHBNGQSTGX-UHFFFAOYSA-N
XLogP0.78
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]butanoate
CID 64668917
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
CID 62326560
2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 63060851
N-[[6-(2-methylsulfanylethoxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
CID 113473346
methyl 3-[[6-(propylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanoate
CID 63949508
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642
N-[(6-butoxy-1,3-benzodioxol-5-yl)methyl]propan-1-amine
CID 55011771
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
The IUPAC name of 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide (CID 55012394) is 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide.
What is the SMILES notation for 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
The canonical SMILES for 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide is CCNCc1cc2c(cc1OC(C)C(N)=O)OCO2.
What is the InChIKey of 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
The InChIKey is PQMYNHBNGQSTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-15-6-9-4-11-12(18-7-17-11)5-10(9)19-8(2)13(14)16/h4-5,8,15H,3,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide?
2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide has a molecular weight of 266.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide is sourced from PubChem (CID 55012394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).