tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate

C19H29F2NO5 — CID 163209505

IUPACtert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate
SMILESC[C@H](CN(C[C@H](O)COCc1ccccc1)C(=O)OC(C)(C)C)OC(F)F
InChIInChI=1S/C19H29F2NO5/c1-14(26-17(20)21)10-22(18(24)27-19(2,3)4)11-16(23)13-25-12-15-8-6-5-7-9-15/h5-9,14,16-17,23H,10-13H2,1-4H3/t14-,16+/m1/s1
InChIKeyLTIIGLVAKJXAAU-ZBFHGGJFSA-N
MW389.44 g/mol
LogP3.43
Rot. Bonds10

About tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate

tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate (PubChem CID 163209505) has the molecular formula C19H29F2NO5 and a molecular weight of 389.44 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate
PubChem CID163209505
Molecular FormulaC19H29F2NO5
Molecular Weight389.44 g/mol
Exact Mass389.20
IUPAC Nametert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate
SMILESC[C@H](CN(C[C@H](O)COCc1ccccc1)C(=O)OC(C)(C)C)OC(F)F
InChIInChI=1S/C19H29F2NO5/c1-14(26-17(20)21)10-22(18(24)27-19(2,3)4)11-16(23)13-25-12-15-8-6-5-7-9-15/h5-9,14,16-17,23H,10-13H2,1-4H3/t14-,16+/m1/s1
InChIKeyLTIIGLVAKJXAAU-ZBFHGGJFSA-N
XLogP3.43
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate (CID 163209505) is tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate is C[C@H](CN(C[C@H](O)COCc1ccccc1)C(=O)OC(C)(C)C)OC(F)F.
What is the InChIKey of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate?
The InChIKey is LTIIGLVAKJXAAU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29F2NO5/c1-14(26-17(20)21)10-22(18(24)27-19(2,3)4)11-16(23)13-25-12-15-8-6-5-7-9-15/h5-9,14,16-17,23H,10-13H2,1-4H3/t14-,16+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate?
tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate has a molecular weight of 389.44 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate is sourced from PubChem (CID 163209505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).