[2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride

C13H20ClN3O4 — CID 173104807

IUPAC[2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride
SMILESCCNC(=O)Oc1cc(CCNC(=O)NC)ccc1O.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-3-15-13(19)20-11-8-9(4-5-10(11)17)6-7-16-12(18)14-2;/h4-5,8,17H,3,6-7H2,1-2H3,(H,15,19)(H2,14,16,18);1H
InChIKeyDDDHTSSZSXLSOZ-UHFFFAOYSA-N
MW317.77 g/mol
LogP1.39
Rot. Bonds5

About [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride

[2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride (PubChem CID 173104807) has the molecular formula C13H20ClN3O4 and a molecular weight of 317.77 g/mol. Its IUPAC name is [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride
PubChem CID173104807
Molecular FormulaC13H20ClN3O4
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC Name[2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride
SMILESCCNC(=O)Oc1cc(CCNC(=O)NC)ccc1O.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-3-15-13(19)20-11-8-9(4-5-10(11)17)6-7-16-12(18)14-2;/h4-5,8,17H,3,6-7H2,1-2H3,(H,15,19)(H2,14,16,18);1H
InChIKeyDDDHTSSZSXLSOZ-UHFFFAOYSA-N
XLogP1.39
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
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ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
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1-ethyl-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride?
The IUPAC name of [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride (CID 173104807) is [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride.
What is the SMILES notation for [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride?
The canonical SMILES for [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride is CCNC(=O)Oc1cc(CCNC(=O)NC)ccc1O.Cl.
What is the InChIKey of [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride?
The InChIKey is DDDHTSSZSXLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4.ClH/c1-3-15-13(19)20-11-8-9(4-5-10(11)17)6-7-16-12(18)14-2;/h4-5,8,17H,3,6-7H2,1-2H3,(H,15,19)(H2,14,16,18);1H.
What are the key properties of [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride?
[2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-[2-(methylcarbamoylamino)ethyl]phenyl] N-ethylcarbamate;hydrochloride is sourced from PubChem (CID 173104807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).