tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate

C26H35NO5 — CID 86748044

IUPACtert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate
SMILESCCCN(CC(O)COC(Cc1ccccc1)C(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO5/c1-5-16-27(25(30)32-26(2,3)4)18-22(28)19-31-23(17-20-12-8-6-9-13-20)24(29)21-14-10-7-11-15-21/h6-15,22-23,28H,5,16-19H2,1-4H3
InChIKeyGKJIPZCZAZVBFI-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.51
Rot. Bonds11

About tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate

tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate (PubChem CID 86748044) has the molecular formula C26H35NO5 and a molecular weight of 441.57 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate
PubChem CID86748044
Molecular FormulaC26H35NO5
Molecular Weight441.57 g/mol
Exact Mass441.25
IUPAC Nametert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate
SMILESCCCN(CC(O)COC(Cc1ccccc1)C(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO5/c1-5-16-27(25(30)32-26(2,3)4)18-22(28)19-31-23(17-20-12-8-6-9-13-20)24(29)21-14-10-7-11-15-21/h6-15,22-23,28H,5,16-19H2,1-4H3
InChIKeyGKJIPZCZAZVBFI-UHFFFAOYSA-N
XLogP4.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane
CID 142297237
tert-butyl N-(2-chloroethyl)-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]carbamate
CID 171477754
tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate
CID 118230319
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
tert-butyl N-oxido-N-(1-phenylpropan-2-yl)carbamate
CID 87963994
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]carbamate
CID 54547220
tert-butyl N-[2-methoxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-N-propylcarbamate;hydrochloride
CID 16638078
tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 59890919
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
CID 107245260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate (CID 86748044) is tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate is CCCN(CC(O)COC(Cc1ccccc1)C(=O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate?
The InChIKey is GKJIPZCZAZVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO5/c1-5-16-27(25(30)32-26(2,3)4)18-22(28)19-31-23(17-20-12-8-6-9-13-20)24(29)21-14-10-7-11-15-21/h6-15,22-23,28H,5,16-19H2,1-4H3.
What are the key properties of tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate?
tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate has a molecular weight of 441.57 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate is sourced from PubChem (CID 86748044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).