3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide

C16H18N2O3 — CID 107699338

IUPAC3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(N)cc2)cc1O
InChIInChI=1S/C16H18N2O3/c1-11-2-5-13(10-15(11)19)18-16(20)8-9-21-14-6-3-12(17)4-7-14/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyRFVIRGOMYXRMFZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.69
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide

3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide (PubChem CID 107699338) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
PubChem CID107699338
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(N)cc2)cc1O
InChIInChI=1S/C16H18N2O3/c1-11-2-5-13(10-15(11)19)18-16(20)8-9-21-14-6-3-12(17)4-7-14/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyRFVIRGOMYXRMFZ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120568903
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide (CID 107699338) is 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOc2ccc(N)cc2)cc1O.
What is the InChIKey of 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
The InChIKey is RFVIRGOMYXRMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-2-5-13(10-15(11)19)18-16(20)8-9-21-14-6-3-12(17)4-7-14/h2-7,10,19H,8-9,17H2,1H3,(H,18,20).
What are the key properties of 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 107699338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).