N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide

C17H25F2NO2 — CID 20790189

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C17H25F2NO2/c1-16(2,3)14(15(21)20-17(4,5)6)22-10-11-7-12(18)9-13(19)8-11/h7-9,14H,10H2,1-6H3,(H,20,21)
InChIKeyOFIAHQQWYZUZIW-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.81
Rot. Bonds4

About N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide (PubChem CID 20790189) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide
PubChem CID20790189
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C17H25F2NO2/c1-16(2,3)14(15(21)20-17(4,5)6)22-10-11-7-12(18)9-13(19)8-11/h7-9,14H,10H2,1-6H3,(H,20,21)
InChIKeyOFIAHQQWYZUZIW-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide (CID 20790189) is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide is CC(C)(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide?
The InChIKey is OFIAHQQWYZUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-16(2,3)14(15(21)20-17(4,5)6)22-10-11-7-12(18)9-13(19)8-11/h7-9,14H,10H2,1-6H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide?
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide has a molecular weight of 313.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide is sourced from PubChem (CID 20790189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).