4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride

C10H21ClF2N2O3 — CID 120591334

IUPAC4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride
SMILESCOCCN(CC(F)F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C10H20F2N2O3.ClH/c1-16-4-3-14(7-9(11)12)10(15)5-8(6-13)17-2;/h8-9H,3-7,13H2,1-2H3;1H
InChIKeyDXBGAFFDIQGFRO-UHFFFAOYSA-N
MW290.74 g/mol
LogP0.51
Rot. Bonds9

About 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride

4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride (PubChem CID 120591334) has the molecular formula C10H21ClF2N2O3 and a molecular weight of 290.74 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride
PubChem CID120591334
Molecular FormulaC10H21ClF2N2O3
Molecular Weight290.74 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride
SMILESCOCCN(CC(F)F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C10H20F2N2O3.ClH/c1-16-4-3-14(7-9(11)12)10(15)5-8(6-13)17-2;/h8-9H,3-7,13H2,1-2H3;1H
InChIKeyDXBGAFFDIQGFRO-UHFFFAOYSA-N
XLogP0.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 119951069
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 119314780
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120589296
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
CID 107493240
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride (CID 120591334) is 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride is COCCN(CC(F)F)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride?
The InChIKey is DXBGAFFDIQGFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O3.ClH/c1-16-4-3-14(7-9(11)12)10(15)5-8(6-13)17-2;/h8-9H,3-7,13H2,1-2H3;1H.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride?
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride is sourced from PubChem (CID 120591334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).