(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide

C14H20F2N2O3 — CID 103928752

IUPAC(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C14H20F2N2O3/c1-14(2,3)11(17)12(19)18-9-7-8(20-4)5-6-10(9)21-13(15)16/h5-7,11,13H,17H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyMXHUMFACVQZECY-NSHDSACASA-N
MW302.32 g/mol
LogP2.61
Rot. Bonds5

About (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide (PubChem CID 103928752) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
PubChem CID103928752
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C14H20F2N2O3/c1-14(2,3)11(17)12(19)18-9-7-8(20-4)5-6-10(9)21-13(15)16/h5-7,11,13H,17H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyMXHUMFACVQZECY-NSHDSACASA-N
XLogP2.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-methylbutanamide
CID 43698620
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
CID 62856668
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-[(2,5-dimethoxyphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536593
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide (CID 103928752) is (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide is COc1ccc(OC(F)F)c(NC(=O)[C@H](N)C(C)(C)C)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide?
The InChIKey is MXHUMFACVQZECY-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-14(2,3)11(17)12(19)18-9-7-8(20-4)5-6-10(9)21-13(15)16/h5-7,11,13H,17H2,1-4H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide has a molecular weight of 302.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).