4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide

C16H18N2O3 — CID 107711871

IUPAC4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2ccccc2CCO)c1
InChIInChI=1S/C16H18N2O3/c1-18-16(20)12-6-7-13(17)15(10-12)21-14-5-3-2-4-11(14)8-9-19/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyPHWOGQXPRDGCHL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.96
Rot. Bonds5

About 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide

4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide (PubChem CID 107711871) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
PubChem CID107711871
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2ccccc2CCO)c1
InChIInChI=1S/C16H18N2O3/c1-18-16(20)12-6-7-13(17)15(10-12)21-14-5-3-2-4-11(14)8-9-19/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyPHWOGQXPRDGCHL-UHFFFAOYSA-N
XLogP1.96
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
CID 107713839
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide (CID 107711871) is 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide is CNC(=O)c1ccc(N)c(Oc2ccccc2CCO)c1.
What is the InChIKey of 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide?
The InChIKey is PHWOGQXPRDGCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-16(20)12-6-7-13(17)15(10-12)21-14-5-3-2-4-11(14)8-9-19/h2-7,10,19H,8-9,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide?
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide is sourced from PubChem (CID 107711871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).