3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide

C16H18N2O3 — CID 82990529

IUPAC3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(CO)cc2)c(N)c1
InChIInChI=1S/C16H18N2O3/c1-18(2)16(20)12-5-8-15(14(17)9-12)21-13-6-3-11(10-19)4-7-13/h3-9,19H,10,17H2,1-2H3
InChIKeyKUVJOGLGDAEVOM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide

3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide (PubChem CID 82990529) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
PubChem CID82990529
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(CO)cc2)c(N)c1
InChIInChI=1S/C16H18N2O3/c1-18(2)16(20)12-5-8-15(14(17)9-12)21-13-6-3-11(10-19)4-7-13/h3-9,19H,10,17H2,1-2H3
InChIKeyKUVJOGLGDAEVOM-UHFFFAOYSA-N
XLogP2.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide 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

3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992737
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
3-amino-4-(4-ethoxyphenoxy)benzamide
CID 43448507

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide (CID 82990529) is 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2ccc(CO)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide?
The InChIKey is KUVJOGLGDAEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(2)16(20)12-5-8-15(14(17)9-12)21-13-6-3-11(10-19)4-7-13/h3-9,19H,10,17H2,1-2H3.
What are the key properties of 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide?
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 82990529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).