N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide

C20H23NO5 — CID 134394183

IUPACN-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
SMILESCOCCOc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-24-12-13-25-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)26-14-20(23)21-15-22/h2-11,22H,12-15H2,1H3,(H,21,23)/b3-2+
InChIKeyXYUFNUPOWGPPCX-NSCUHMNNSA-N
MW357.41 g/mol
LogP2.33
Rot. Bonds10

About N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide

N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide (PubChem CID 134394183) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
PubChem CID134394183
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
SMILESCOCCOc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-24-12-13-25-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)26-14-20(23)21-15-22/h2-11,22H,12-15H2,1H3,(H,21,23)/b3-2+
InChIKeyXYUFNUPOWGPPCX-NSCUHMNNSA-N
XLogP2.33
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
CID 134394160
[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenyl]methyl N-(hydroxymethyl)carbamate
CID 134394172
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene
CID 76670582
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
(E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017763
(E)-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017777
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
CID 39163292
N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide?
The IUPAC name of N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide (CID 134394183) is N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide.
What is the SMILES notation for N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide?
The canonical SMILES for N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide is COCCOc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1.
What is the InChIKey of N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide?
The InChIKey is XYUFNUPOWGPPCX-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-12-13-25-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)26-14-20(23)21-15-22/h2-11,22H,12-15H2,1H3,(H,21,23)/b3-2+.
What are the key properties of N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide?
N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide is sourced from PubChem (CID 134394183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).