(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide

C14H20F2N2O2 — CID 103929683

IUPAC(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-14(2,3)11(17)12(19)18-8-9-6-4-5-7-10(9)20-13(15)16/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyRZRSUFFJIOCMRZ-NSHDSACASA-N
MW286.32 g/mol
LogP2.28
Rot. Bonds5

About (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide (PubChem CID 103929683) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
PubChem CID103929683
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-14(2,3)11(17)12(19)18-8-9-6-4-5-7-10(9)20-13(15)16/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyRZRSUFFJIOCMRZ-NSHDSACASA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119796181
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-sulfamoylpropyl)urea
CID 131961772
(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119810633
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide (CID 103929683) is (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is RZRSUFFJIOCMRZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-14(2,3)11(17)12(19)18-8-9-6-4-5-7-10(9)20-13(15)16/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 286.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103929683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).