benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate

C17H19NO4 — CID 102235547

IUPACbenzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
SMILESO=C(NC[C@@H](O)COc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO4/c19-15(13-21-16-9-5-2-6-10-16)11-18-17(20)22-12-14-7-3-1-4-8-14/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m1/s1
InChIKeyNIYUGHNAZHVKLA-OAHLLOKOSA-N
MW301.34 g/mol
LogP2.35
Rot. Bonds7

About benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate

benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate (PubChem CID 102235547) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
PubChem CID102235547
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namebenzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
SMILESO=C(NC[C@@H](O)COc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO4/c19-15(13-21-16-9-5-2-6-10-16)11-18-17(20)22-12-14-7-3-1-4-8-14/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m1/s1
InChIKeyNIYUGHNAZHVKLA-OAHLLOKOSA-N
XLogP2.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzyl N-[4-[3-(2,3-dihydroxypropoxy)phenyl]butyl]carbamate
CID 11494508
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
[(2S)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate
CID 11245935
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate (CID 102235547) is benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate is O=C(NC[C@@H](O)COc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate?
The InChIKey is NIYUGHNAZHVKLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO4/c19-15(13-21-16-9-5-2-6-10-16)11-18-17(20)22-12-14-7-3-1-4-8-14/h1-10,15,19H,11-13H2,(H,18,20)/t15-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate?
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate is sourced from PubChem (CID 102235547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).