N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide

C18H27F2NO2 — CID 20790191

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H27F2NO2/c1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12/h7-9,15H,10-11H2,1-6H3,(H,21,22)
InChIKeyYWYDRDXVMCOVMN-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.20
Rot. Bonds5

About N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide (PubChem CID 20790191) has the molecular formula C18H27F2NO2 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide
PubChem CID20790191
Molecular FormulaC18H27F2NO2
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H27F2NO2/c1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12/h7-9,15H,10-11H2,1-6H3,(H,21,22)
InChIKeyYWYDRDXVMCOVMN-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.20
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]-4,4-dimethylpentanamide?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide (CID 20790191) is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide is CC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide?
The InChIKey is YWYDRDXVMCOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO2/c1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12/h7-9,15H,10-11H2,1-6H3,(H,21,22).
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide?
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide has a molecular weight of 327.42 g/mol, XLogP of 4.20, 5 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]-4,4-dimethylpentanamide is sourced from PubChem (CID 20790191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).