benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate

C20H23NO4 — CID 102510511

IUPACbenzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
SMILESO=C(N[C@H]1OCCC[C@@H]1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H23NO4/c22-20(25-15-17-10-5-2-6-11-17)21-19-18(12-7-13-23-19)24-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,21,22)/t18-,19-/m0/s1
InChIKeyRTIYWJLJXHEPNI-OALUTQOASA-N
MW341.41 g/mol
LogP3.63
Rot. Bonds6

About benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate

benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate (PubChem CID 102510511) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
PubChem CID102510511
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebenzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
SMILESO=C(N[C@H]1OCCC[C@@H]1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H23NO4/c22-20(25-15-17-10-5-2-6-11-17)21-19-18(12-7-13-23-19)24-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,21,22)/t18-,19-/m0/s1
InChIKeyRTIYWJLJXHEPNI-OALUTQOASA-N
XLogP3.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate
CID 102510508
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
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CID 44625936
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate (CID 102510511) is benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate is O=C(N[C@H]1OCCC[C@@H]1OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate?
The InChIKey is RTIYWJLJXHEPNI-OALUTQOASA-N. The full InChI is InChI=1S/C20H23NO4/c22-20(25-15-17-10-5-2-6-11-17)21-19-18(12-7-13-23-19)24-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,21,22)/t18-,19-/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate?
benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate is sourced from PubChem (CID 102510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).