3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide

C19H22N2O3 — CID 46690602

IUPAC3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(C)cc1O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-12-4-7-15(8-5-12)17(20-14(3)22)11-19(24)21-16-9-6-13(2)10-18(16)23/h4-10,17,23H,11H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyVBWYAMLFEXQLTR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.22
Rot. Bonds5

About 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide (PubChem CID 46690602) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
PubChem CID46690602
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(C)cc1O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-12-4-7-15(8-5-12)17(20-14(3)22)11-19(24)21-16-9-6-13(2)10-18(16)23/h4-10,17,23H,11H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyVBWYAMLFEXQLTR-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
methyl 4-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methylbenzoate
CID 55531525
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide (CID 46690602) is 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(C)cc1O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is VBWYAMLFEXQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-4-7-15(8-5-12)17(20-14(3)22)11-19(24)21-16-9-6-13(2)10-18(16)23/h4-10,17,23H,11H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 46690602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).