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

C16H23F2NO2 — CID 20790190

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
SMILESCC(C)C(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H23F2NO2/c1-10(2)14(15(20)19-16(3,4)5)21-9-11-6-12(17)8-13(18)7-11/h6-8,10,14H,9H2,1-5H3,(H,19,20)
InChIKeyLPEXMDSWRMWDIJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.42
Rot. Bonds5

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

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide (PubChem CID 20790190) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
PubChem CID20790190
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
SMILESCC(C)C(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H23F2NO2/c1-10(2)14(15(20)19-16(3,4)5)21-9-11-6-12(17)8-13(18)7-11/h6-8,10,14H,9H2,1-5H3,(H,19,20)
InChIKeyLPEXMDSWRMWDIJ-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
CID 20790193
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728350
1-(butan-2-yloxymethyl)-3,5-difluorobenzene
CID 169144381
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242490
[4-azido-1-(3,5-difluorophenyl)-4-hydroxybutan-2-yl] N-tert-butylcarbamate
CID 142774984
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
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide (CID 20790190) is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide is CC(C)C(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide?
The InChIKey is LPEXMDSWRMWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-10(2)14(15(20)19-16(3,4)5)21-9-11-6-12(17)8-13(18)7-11/h6-8,10,14H,9H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide?
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide has a molecular weight of 299.36 g/mol, XLogP of 3.42, 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]-3-methylbutanamide is sourced from PubChem (CID 20790190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).