2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one

C26H27F2NO2 — CID 59153425

IUPAC2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one
SMILESO=C(CCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H27F2NO2/c27-26(28)31-20-24(25(30)17-16-21-10-4-1-5-11-21)29(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
InChIKeyRVVDZFSQDMZCKO-UHFFFAOYSA-N
MW423.50 g/mol
LogP5.50
Rot. Bonds12

About 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one

2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one (PubChem CID 59153425) has the molecular formula C26H27F2NO2 and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one.

Molecular Properties

Compound Name2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one
PubChem CID59153425
Molecular FormulaC26H27F2NO2
Molecular Weight423.50 g/mol
Exact Mass423.20
IUPAC Name2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one
SMILESO=C(CCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H27F2NO2/c27-26(28)31-20-24(25(30)17-16-21-10-4-1-5-11-21)29(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
InChIKeyRVVDZFSQDMZCKO-UHFFFAOYSA-N
XLogP5.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
methyl (2S)-2-(dibenzylamino)-3-(4-methylphenyl)propanoate
CID 168274365
Methyl 2-(dibenzylamino)-3-(2-fluorophenyl)propanoate
CID 66638819
ethyl (2R,3R)-1-benzhydryl-3-phenylaziridine-2-carboxylate
CID 10882844
Methyl 2-(dibenzylamino)-3-(3-fluorophenyl)propanoate
CID 72707699
tert-butyl (2R,3S)-2-[benzyl-[(1R)-1-phenylethyl]amino]-3-fluoro-3-(4-fluorophenyl)propanoate
CID 122398606
Methyl 2-(3-fluoro-2,2-diphenylaziridin-1-yl)-3-phenylpropanoate
CID 129750716
Methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate
CID 134946687
tert-butyl (2R,3S)-2-(dibenzylamino)-3-fluoro-3-phenylpropanoate
CID 168304878
tert-butyl (2R,3S)-2-[benzyl-[(1R)-1-phenylethyl]amino]-3-fluoro-3-phenylpropanoate
CID 168304879
Methyl 2-[benzyl(methyl)amino]-3-(4-fluorophenyl)propanoate
CID 176425541
Ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate
CID 134842909

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one?
The IUPAC name of 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one (CID 59153425) is 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one.
What is the SMILES notation for 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one?
The canonical SMILES for 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one is O=C(CCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one?
The InChIKey is RVVDZFSQDMZCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO2/c27-26(28)31-20-24(25(30)17-16-21-10-4-1-5-11-21)29(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2.
What are the key properties of 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one?
2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one has a molecular weight of 423.50 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-1-(difluoromethoxy)-5-phenylpentan-3-one is sourced from PubChem (CID 59153425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).