3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

C17H20N2O2 — CID 107272887

IUPAC3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H20N2O2/c1-19(12-13-6-9-15(20)10-7-13)17(21)11-8-14-4-2-3-5-16(14)18/h2-7,9-10,20H,8,11-12,18H2,1H3
InChIKeyGXKLKKQSTRUREF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (PubChem CID 107272887) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
PubChem CID107272887
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H20N2O2/c1-19(12-13-6-9-15(20)10-7-13)17(21)11-8-14-4-2-3-5-16(14)18/h2-7,9-10,20H,8,11-12,18H2,1H3
InChIKeyGXKLKKQSTRUREF-UHFFFAOYSA-N
XLogP2.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-[(4-methylsulfinylphenyl)methyl]propanamide
CID 120611456
3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120608876
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpropanamide;hydrochloride
CID 120608250
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213
4-[[methyl-[3-(2-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119225951
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (CID 107272887) is 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(O)cc1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is GXKLKKQSTRUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(12-13-6-9-15(20)10-7-13)17(21)11-8-14-4-2-3-5-16(14)18/h2-7,9-10,20H,8,11-12,18H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 107272887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).