3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide

C16H18N2O3 — CID 107708557

IUPAC3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(CCO)cc2)c(N)c1
InChIInChI=1S/C16H18N2O3/c17-15-9-12(16(18)20)3-4-13(15)10-21-14-5-1-11(2-6-14)7-8-19/h1-6,9,19H,7-8,10,17H2,(H2,18,20)
InChIKeyMMEVNCRKONJQNX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.48
Rot. Bonds6

About 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide

3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide (PubChem CID 107708557) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
PubChem CID107708557
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(CCO)cc2)c(N)c1
InChIInChI=1S/C16H18N2O3/c17-15-9-12(16(18)20)3-4-13(15)10-21-14-5-1-11(2-6-14)7-8-19/h1-6,9,19H,7-8,10,17H2,(H2,18,20)
InChIKeyMMEVNCRKONJQNX-UHFFFAOYSA-N
XLogP1.48
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.48
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

3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 43376404
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
3-amino-4-ethylbenzamide
CID 19977641
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide?
The IUPAC name of 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide (CID 107708557) is 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide is NC(=O)c1ccc(COc2ccc(CCO)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide?
The InChIKey is MMEVNCRKONJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-15-9-12(16(18)20)3-4-13(15)10-21-14-5-1-11(2-6-14)7-8-19/h1-6,9,19H,7-8,10,17H2,(H2,18,20).
What are the key properties of 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide?
3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 107708557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).