benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

C19H20N2O5 — CID 171856412

IUPACbenzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ccc(C#N)cc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c1-25-17-8-7-14(10-20)9-15(17)18(23)16(22)11-21-19(24)26-12-13-5-3-2-4-6-13/h2-9,16,18,22-23H,11-12H2,1H3,(H,21,24)
InChIKeyPZEHOUNUJPUCTF-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.89
Rot. Bonds7

About benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856412) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856412
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namebenzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ccc(C#N)cc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c1-25-17-8-7-14(10-20)9-15(17)18(23)16(22)11-21-19(24)26-12-13-5-3-2-4-6-13/h2-9,16,18,22-23H,11-12H2,1H3,(H,21,24)
InChIKeyPZEHOUNUJPUCTF-UHFFFAOYSA-N
XLogP1.89
TPSA111.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[3-(4-cyano-2-nitrophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856558
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857173
benzyl N-[3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857238
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834855
benzyl N-[3,4-dihydroxy-4-[5-(hydroxymethyl)-2-methoxyphenyl]butyl]carbamate
CID 171888716
benzyl N-[3-(3-chloro-5-cyanophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855951
benzyl N-[3-(5-formyl-2,3-dimethoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857086
benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
CID 171855851

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 171856412) is benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is COc1ccc(C#N)cc1C(O)C(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is PZEHOUNUJPUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-17-8-7-14(10-20)9-15(17)18(23)16(22)11-21-19(24)26-12-13-5-3-2-4-6-13/h2-9,16,18,22-23H,11-12H2,1H3,(H,21,24).
What are the key properties of benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 356.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).