[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate

C19H32FN2O5P — CID 138717532

IUPAC[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
SMILESCC(C)(C)NC(C)(C)CC(C)(C)NC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C19H32FN2O5P/c1-17(2,3)22-19(6,7)12-18(4,5)21-16(23)15(20)13-10-8-9-11-14(13)27-28(24,25)26/h8-11,15,22H,12H2,1-7H3,(H,21,23)(H2,24,25,26)
InChIKeyUEYWOJOLPGMOGY-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.62
Rot. Bonds8

About [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate

[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate (PubChem CID 138717532) has the molecular formula C19H32FN2O5P and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
PubChem CID138717532
Molecular FormulaC19H32FN2O5P
Molecular Weight418.45 g/mol
Exact Mass418.20
IUPAC Name[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
SMILESCC(C)(C)NC(C)(C)CC(C)(C)NC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C19H32FN2O5P/c1-17(2,3)22-19(6,7)12-18(4,5)21-16(23)15(20)13-10-8-9-11-14(13)27-28(24,25)26/h8-11,15,22H,12H2,1-7H3,(H,21,23)(H2,24,25,26)
InChIKeyUEYWOJOLPGMOGY-UHFFFAOYSA-N
XLogP3.62
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(tert-butylamino)-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 167060881
[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717416
[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate
CID 158731813
[2-(1-fluoro-6,6-dimethyl-2-oxoheptyl)phenyl] dihydrogen phosphate
CID 147919149
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795
(2-fluorosulfonylphenyl) dihydrogen phosphate
CID 175215288
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43279519
N-(1-amino-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 63193542
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate?
The IUPAC name of [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate (CID 138717532) is [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate is CC(C)(C)NC(C)(C)CC(C)(C)NC(=O)C(F)c1ccccc1OP(=O)(O)O.
What is the InChIKey of [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate?
The InChIKey is UEYWOJOLPGMOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN2O5P/c1-17(2,3)22-19(6,7)12-18(4,5)21-16(23)15(20)13-10-8-9-11-14(13)27-28(24,25)26/h8-11,15,22H,12H2,1-7H3,(H,21,23)(H2,24,25,26).
What are the key properties of [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate?
[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate has a molecular weight of 418.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 138717532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).