[(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate

C17H19NO3 — CID 10979000

IUPAC[(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c19-12-15(11-14-7-3-1-4-8-14)13-21-17(20)18-16-9-5-2-6-10-16/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m0/s1
InChIKeyPVOZNXDWQLOKDA-HNNXBMFYSA-N
MW285.34 g/mol
LogP3.09
Rot. Bonds6

About [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate

[(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate (PubChem CID 10979000) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate
PubChem CID10979000
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c19-12-15(11-14-7-3-1-4-8-14)13-21-17(20)18-16-9-5-2-6-10-16/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m0/s1
InChIKeyPVOZNXDWQLOKDA-HNNXBMFYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate
CID 11055239
(2-benzyl-3-hydroxypropyl) methanesulfonate
CID 22447796
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-(methoxycarbonylamino)butyl N-phenylcarbamate
CID 3136023
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
3-methylbutyl N-phenylcarbamate
CID 69480810
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate?
The IUPAC name of [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate (CID 10979000) is [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate.
What is the SMILES notation for [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate?
The canonical SMILES for [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC[C@H](CO)Cc1ccccc1.
What is the InChIKey of [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate?
The InChIKey is PVOZNXDWQLOKDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-15(11-14-7-3-1-4-8-14)13-21-17(20)18-16-9-5-2-6-10-16/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m0/s1.
What are the key properties of [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate?
[(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate has a molecular weight of 285.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzyl-3-hydroxypropyl] N-phenylcarbamate is sourced from PubChem (CID 10979000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).