3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide

C24H24N2O3 — CID 113132296

IUPAC3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-18-8-6-7-11-23(18)25-24(28)16-17-26(19(2)27)20-12-14-22(15-13-20)29-21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyHRCPVDJTNIUOSA-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.17
Rot. Bonds7

About 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide

3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide (PubChem CID 113132296) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
PubChem CID113132296
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-18-8-6-7-11-23(18)25-24(28)16-17-26(19(2)27)20-12-14-22(15-13-20)29-21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyHRCPVDJTNIUOSA-UHFFFAOYSA-N
XLogP5.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
methyl 3-[acetyl-[3-(2-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131393
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide
CID 1262151
2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113177507
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide (CID 113132296) is 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is HRCPVDJTNIUOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18-8-6-7-11-23(18)25-24(28)16-17-26(19(2)27)20-12-14-22(15-13-20)29-21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,25,28).
What are the key properties of 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide?
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113132296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).