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

C10H21ClF2N2O2 — CID 120591084

IUPAC4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
SMILESCCCN(CC(F)F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C10H20F2N2O2.ClH/c1-3-4-14(7-9(11)12)10(15)5-8(6-13)16-2;/h8-9H,3-7,13H2,1-2H3;1H
InChIKeyRRDOOCXYTMZDPE-UHFFFAOYSA-N
MW274.74 g/mol
LogP1.28
Rot. Bonds8

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

4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride (PubChem CID 120591084) has the molecular formula C10H21ClF2N2O2 and a molecular weight of 274.74 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
PubChem CID120591084
Molecular FormulaC10H21ClF2N2O2
Molecular Weight274.74 g/mol
Exact Mass274.13
IUPAC Name4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
SMILESCCCN(CC(F)F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C10H20F2N2O2.ClH/c1-3-4-14(7-9(11)12)10(15)5-8(6-13)16-2;/h8-9H,3-7,13H2,1-2H3;1H
InChIKeyRRDOOCXYTMZDPE-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride
CID 120591334
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120589296
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride (CID 120591084) is 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride is CCCN(CC(F)F)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride?
The InChIKey is RRDOOCXYTMZDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2.ClH/c1-3-4-14(7-9(11)12)10(15)5-8(6-13)16-2;/h8-9H,3-7,13H2,1-2H3;1H.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride?
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride has a molecular weight of 274.74 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 120591084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).