benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate

C19H20N2O5 — CID 171856157

IUPACbenzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc2c(c1)C(=O)NC2)OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c22-16(10-21-19(25)26-11-12-4-2-1-3-5-12)17(23)13-6-7-14-9-20-18(24)15(14)8-13/h1-8,16-17,22-23H,9-11H2,(H,20,24)(H,21,25)
InChIKeyJOHWDHQPZWTAMP-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.25
Rot. Bonds6

About benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate (PubChem CID 171856157) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate
PubChem CID171856157
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc2c(c1)C(=O)NC2)OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c22-16(10-21-19(25)26-11-12-4-2-1-3-5-12)17(23)13-6-7-14-9-20-18(24)15(14)8-13/h1-8,16-17,22-23H,9-11H2,(H,20,24)(H,21,25)
InChIKeyJOHWDHQPZWTAMP-UHFFFAOYSA-N
XLogP1.25
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate
CID 171856705
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-3-methylphenyl]propyl]carbamate
CID 171855863
benzyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856244
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855779

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate (CID 171856157) is benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate is O=C(NCC(O)C(O)c1ccc2c(c1)C(=O)NC2)OCc1ccccc1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate?
The InChIKey is JOHWDHQPZWTAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-16(10-21-19(25)26-11-12-4-2-1-3-5-12)17(23)13-6-7-14-9-20-18(24)15(14)8-13/h1-8,16-17,22-23H,9-11H2,(H,20,24)(H,21,25).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate has a molecular weight of 356.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate is sourced from PubChem (CID 171856157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).