N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide

C22H26N2O6 — CID 134394160

IUPACN-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO
InChIInChI=1S/C22H26N2O6/c25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26/h1-10,25-26H,11-16H2,(H,23,27)(H,24,28)/b2-1+
InChIKeyGNDINWOEBAYBBU-OWOJBTEDSA-N
MW414.46 g/mol
LogP0.83
Rot. Bonds12

About N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide

N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide (PubChem CID 134394160) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
PubChem CID134394160
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC NameN-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO
InChIInChI=1S/C22H26N2O6/c25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26/h1-10,25-26H,11-16H2,(H,23,27)(H,24,28)/b2-1+
InChIKeyGNDINWOEBAYBBU-OWOJBTEDSA-N
XLogP0.83
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
CID 39163292
N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 63648820
N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
CID 134394183
[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenyl]methyl N-(hydroxymethyl)carbamate
CID 134394172
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
(E)-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017777
2-[6-(acetamidomethyl)naphthalen-2-yl]oxy-N-(2-hydroxyethyl)acetamide
CID 54108187
2-(4-formylphenoxy)acetic acid;2-(4-formylphenoxy)-N-propylacetamide
CID 159419255
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029
N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide
CID 158750078
N-(2-hydroxyethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3544806

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide (CID 134394160) is N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide is O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide?
The InChIKey is GNDINWOEBAYBBU-OWOJBTEDSA-N. The full InChI is InChI=1S/C22H26N2O6/c25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26/h1-10,25-26H,11-16H2,(H,23,27)(H,24,28)/b2-1+.
What are the key properties of N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide?
N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide has a molecular weight of 414.46 g/mol, XLogP of 0.83, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide is sourced from PubChem (CID 134394160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).