methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate

C13H20N2O5 — CID 70521315

IUPACmethyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(CO)cc(NCCO)c1OC
InChIInChI=1S/C13H20N2O5/c1-15(13(18)20-3)11-7-9(8-17)6-10(12(11)19-2)14-4-5-16/h6-7,14,16-17H,4-5,8H2,1-3H3
InChIKeyYPOMGAAAGIOVAE-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.79
Rot. Bonds6

About methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate

methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate (PubChem CID 70521315) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate
PubChem CID70521315
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(CO)cc(NCCO)c1OC
InChIInChI=1S/C13H20N2O5/c1-15(13(18)20-3)11-7-9(8-17)6-10(12(11)19-2)14-4-5-16/h6-7,14,16-17H,4-5,8H2,1-3H3
InChIKeyYPOMGAAAGIOVAE-UHFFFAOYSA-N
XLogP0.79
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate (CID 70521315) is methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate is COC(=O)N(C)c1cc(CO)cc(NCCO)c1OC.
What is the InChIKey of methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate?
The InChIKey is YPOMGAAAGIOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-15(13(18)20-3)11-7-9(8-17)6-10(12(11)19-2)14-4-5-16/h6-7,14,16-17H,4-5,8H2,1-3H3.
What are the key properties of methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate?
methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate has a molecular weight of 284.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate is sourced from PubChem (CID 70521315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).