[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid

C20H23NO5 — CID 141149139

IUPAC[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(C=Cc2ccc(OCCOCCO)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-21(20(23)24)18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)26-15-14-25-13-12-22/h2-11,22H,12-15H2,1H3,(H,23,24)
InChIKeyMTRFRUDLDGLSOT-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.36
Rot. Bonds9

About [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid

[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid (PubChem CID 141149139) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid
PubChem CID141149139
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(C=Cc2ccc(OCCOCCO)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-21(20(23)24)18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)26-15-14-25-13-12-22/h2-11,22H,12-15H2,1H3,(H,23,24)
InChIKeyMTRFRUDLDGLSOT-UHFFFAOYSA-N
XLogP3.36
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-methylcarbamic acid
CID 67455025
2-[2-[2-[4-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl methanesulfinate
CID 130215393
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
tert-butyl N-[4-[(E)-2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]phenyl]-N-methylcarbamate;tris(2-[2-[2-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate);2-[2-[2-[4-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 158140270
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
4-methyl-2-[2-[2-[2-[4-[2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]benzenesulfonic acid
CID 123260250

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid?
The IUPAC name of [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid (CID 141149139) is [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid.
What is the SMILES notation for [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid?
The canonical SMILES for [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(C=Cc2ccc(OCCOCCO)cc2)cc1.
What is the InChIKey of [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid?
The InChIKey is MTRFRUDLDGLSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-21(20(23)24)18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)26-15-14-25-13-12-22/h2-11,22H,12-15H2,1H3,(H,23,24).
What are the key properties of [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid?
[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid has a molecular weight of 357.41 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid is sourced from PubChem (CID 141149139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).