4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride

C14H19ClF2N2O4 — CID 119333735

IUPAC4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride
SMILESCN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCCN.Cl
InChIInChI=1S/C14H18F2N2O4.ClH/c1-18(13(19)3-2-4-17)7-9-5-11-12(21-8-20-11)6-10(9)22-14(15)16;/h5-6,14H,2-4,7-8,17H2,1H3;1H
InChIKeyFWJZRIRHOUVPKN-UHFFFAOYSA-N
MW352.77 g/mol
LogP2.14
Rot. Bonds7

About 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride

4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride (PubChem CID 119333735) has the molecular formula C14H19ClF2N2O4 and a molecular weight of 352.77 g/mol. Its IUPAC name is 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride
PubChem CID119333735
Molecular FormulaC14H19ClF2N2O4
Molecular Weight352.77 g/mol
Exact Mass352.10
IUPAC Name4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride
SMILESCN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCCN.Cl
InChIInChI=1S/C14H18F2N2O4.ClH/c1-18(13(19)3-2-4-17)7-9-5-11-12(21-8-20-11)6-10(9)22-14(15)16;/h5-6,14H,2-4,7-8,17H2,1H3;1H
InChIKeyFWJZRIRHOUVPKN-UHFFFAOYSA-N
XLogP2.14
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpropanamide
CID 119333708
2-(4-aminophenyl)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylacetamide;hydrochloride
CID 119801304
3-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]propanoic acid
CID 119138110
4-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]butanoic acid
CID 119138111
(2S,5R)-5-(aminomethyl)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120794725
(2S)-2-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methyl-4-methylsulfanylbutanamide
CID 119333716
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119333711
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 119333712
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119333699
2-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-propylamino]acetic acid
CID 122039904
3-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]propanenitrile
CID 71873667
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride (CID 119333735) is 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride is CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride?
The InChIKey is FWJZRIRHOUVPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O4.ClH/c1-18(13(19)3-2-4-17)7-9-5-11-12(21-8-20-11)6-10(9)22-14(15)16;/h5-6,14H,2-4,7-8,17H2,1H3;1H.
What are the key properties of 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride?
4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride has a molecular weight of 352.77 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119333735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).