3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide

C16H18N2O3 — CID 102695385

IUPAC3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(N)c2ccccc2)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-21-12-7-8-14(15(19)9-12)18-16(20)10-13(17)11-5-3-2-4-6-11/h2-9,13,19H,10,17H2,1H3,(H,18,20)
InChIKeyYESHOWUKMLYUQD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.43
Rot. Bonds5

About 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide

3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 102695385) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
PubChem CID102695385
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(N)c2ccccc2)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-21-12-7-8-14(15(19)9-12)18-16(20)10-13(17)11-5-3-2-4-6-11/h2-9,13,19H,10,17H2,1H3,(H,18,20)
InChIKeyYESHOWUKMLYUQD-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide (CID 102695385) is 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)CC(N)c2ccccc2)c(O)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is YESHOWUKMLYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-12-7-8-14(15(19)9-12)18-16(20)10-13(17)11-5-3-2-4-6-11/h2-9,13,19H,10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide?
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 286.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 102695385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).