(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide

C15H22F2N2O2 — CID 119769412

IUPAC(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1cccc(OCC(F)F)c1
InChIInChI=1S/C15H22F2N2O2/c1-15(2,3)13(18)14(20)19-8-10-5-4-6-11(7-10)21-9-12(16)17/h4-7,12-13H,8-9,18H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyPJEZOMPJNYYJTP-CYBMUJFWSA-N
MW300.35 g/mol
LogP2.32
Rot. Bonds6

About (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide (PubChem CID 119769412) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
PubChem CID119769412
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1cccc(OCC(F)F)c1
InChIInChI=1S/C15H22F2N2O2/c1-15(2,3)13(18)14(20)19-8-10-5-4-6-11(7-10)21-9-12(16)17/h4-7,12-13H,8-9,18H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyPJEZOMPJNYYJTP-CYBMUJFWSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119746713
(2S)-2-amino-N-[(3-butoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 119714525
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
methyl 2-[3-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 119787116
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119315356
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide
CID 76887376
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide (CID 119769412) is (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCc1cccc(OCC(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is PJEZOMPJNYYJTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-15(2,3)13(18)14(20)19-8-10-5-4-6-11(7-10)21-9-12(16)17/h4-7,12-13H,8-9,18H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 300.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119769412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).