tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate

C21H27NO3 — CID 67725390

IUPACtert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-20(2,3)25-19(24)22(5)18(23)21(4,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18,23H,1-5H3
InChIKeyQLULKAMLRYLDOX-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate

tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate (PubChem CID 67725390) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate
PubChem CID67725390
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nametert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-20(2,3)25-19(24)22(5)18(23)21(4,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18,23H,1-5H3
InChIKeyQLULKAMLRYLDOX-UHFFFAOYSA-N
XLogP4.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylbutanoate
CID 58650477
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705
tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10494880
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 7015126
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-[(2S)-4-amino-1-phenylbutan-2-yl]-N-methylcarbamate
CID 59475149
tert-butyl N-[(2R)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 54358970
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylmethoxybutanoic acid
CID 4623807
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(6-phenyl-1,2,4,5-tetrazin-3-yl)acetic acid
CID 158823741
tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 69221436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate (CID 67725390) is tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate?
The InChIKey is QLULKAMLRYLDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-20(2,3)25-19(24)22(5)18(23)21(4,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18,23H,1-5H3.
What are the key properties of tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate?
tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate has a molecular weight of 341.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate is sourced from PubChem (CID 67725390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).