2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide

C13H17F2N3O3 — CID 60938031

IUPAC2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H17F2N3O3/c1-18(12(20)10(16)6-11(17)19)7-8-2-4-9(5-3-8)21-13(14)15/h2-5,10,13H,6-7,16H2,1H3,(H2,17,19)
InChIKeyOATFDCDJNUCBGF-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.45
Rot. Bonds7

About 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide

2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide (PubChem CID 60938031) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
PubChem CID60938031
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H17F2N3O3/c1-18(12(20)10(16)6-11(17)19)7-8-2-4-9(5-3-8)21-13(14)15/h2-5,10,13H,6-7,16H2,1H3,(H2,17,19)
InChIKeyOATFDCDJNUCBGF-UHFFFAOYSA-N
XLogP0.45
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 119681798
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethyl-1-methylguanidine;hydroiodide
CID 111288010
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide (CID 60938031) is 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide?
The InChIKey is OATFDCDJNUCBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-18(12(20)10(16)6-11(17)19)7-8-2-4-9(5-3-8)21-13(14)15/h2-5,10,13H,6-7,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide?
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide has a molecular weight of 301.29 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide is sourced from PubChem (CID 60938031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).