N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide

C16H18N2O3 — CID 63652191

IUPACN-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
SMILESCN(C(=O)COc1ccccc1CO)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O3/c1-18(14-8-6-13(17)7-9-14)16(20)11-21-15-5-3-2-4-12(15)10-19/h2-9,19H,10-11,17H2,1H3
InChIKeyCWUGYWOAGBRVKU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.80
Rot. Bonds5

About N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide

N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide (PubChem CID 63652191) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
PubChem CID63652191
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
SMILESCN(C(=O)COc1ccccc1CO)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O3/c1-18(14-8-6-13(17)7-9-14)16(20)11-21-15-5-3-2-4-12(15)10-19/h2-9,19H,10-11,17H2,1H3
InChIKeyCWUGYWOAGBRVKU-UHFFFAOYSA-N
XLogP1.80
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107733334
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 60772880
N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
CID 63652209

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide (CID 63652191) is N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide is CN(C(=O)COc1ccccc1CO)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide?
The InChIKey is CWUGYWOAGBRVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(14-8-6-13(17)7-9-14)16(20)11-21-15-5-3-2-4-12(15)10-19/h2-9,19H,10-11,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide?
N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 63652191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).