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

C17H25F2NO2 — CID 20790193

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
SMILESCC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H25F2NO2/c1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12/h7-9,11,15H,6,10H2,1-5H3,(H,20,21)
InChIKeyIMLLHPOYAYMTKR-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.81
Rot. Bonds6

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

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide (PubChem CID 20790193) 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]-4-methylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
PubChem CID20790193
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
SMILESCC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H25F2NO2/c1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12/h7-9,11,15H,6,10H2,1-5H3,(H,20,21)
InChIKeyIMLLHPOYAYMTKR-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
CID 158568071
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728350
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
CID 3220214
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242490
1-(butan-2-yloxymethyl)-3,5-difluorobenzene
CID 169144381
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 3220275
methyl 2-[(3,5-difluorophenyl)methylamino]-4-methylpentanoate
CID 105403073
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide (CID 20790193) is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide is CC(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-methylpentanamide?
The InChIKey is IMLLHPOYAYMTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12/h7-9,11,15H,6,10H2,1-5H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide?
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide has a molecular weight of 313.39 g/mol, XLogP of 3.81, 6 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-methylpentanamide is sourced from PubChem (CID 20790193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).