methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate

C20H25NO7 — CID 11610828

IUPACmethyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate
SMILESCOC(=O)N(CCOc1ccccc1O)CCOc1c(OC)cccc1OC
InChIInChI=1S/C20H25NO7/c1-24-17-9-6-10-18(25-2)19(17)28-14-12-21(20(23)26-3)11-13-27-16-8-5-4-7-15(16)22/h4-10,22H,11-14H2,1-3H3
InChIKeyZCIWWMWKPASUCW-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.94
Rot. Bonds10

About methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate

methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate (PubChem CID 11610828) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate
PubChem CID11610828
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Namemethyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate
SMILESCOC(=O)N(CCOc1ccccc1O)CCOc1c(OC)cccc1OC
InChIInChI=1S/C20H25NO7/c1-24-17-9-6-10-18(25-2)19(17)28-14-12-21(20(23)26-3)11-13-27-16-8-5-4-7-15(16)22/h4-10,22H,11-14H2,1-3H3
InChIKeyZCIWWMWKPASUCW-UHFFFAOYSA-N
XLogP2.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
methyl 4-(2-hydroxyphenoxy)butanoate
CID 71402500
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
2-methoxyphenol;oxalic acid
CID 162319729
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 62627529

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate (CID 11610828) is methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate is COC(=O)N(CCOc1ccccc1O)CCOc1c(OC)cccc1OC.
What is the InChIKey of methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate?
The InChIKey is ZCIWWMWKPASUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO7/c1-24-17-9-6-10-18(25-2)19(17)28-14-12-21(20(23)26-3)11-13-27-16-8-5-4-7-15(16)22/h4-10,22H,11-14H2,1-3H3.
What are the key properties of methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate?
methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate has a molecular weight of 391.42 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,6-dimethoxyphenoxy)ethyl]-N-[2-(2-hydroxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 11610828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).