3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide

C22H21NO2 — CID 18276176

IUPAC3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-17-7-13-21(14-8-17)25-16-15-22(24)23-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyKLZJBMDQBZZIHH-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.07
Rot. Bonds6

About 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide

3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide (PubChem CID 18276176) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
PubChem CID18276176
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-17-7-13-21(14-8-17)25-16-15-22(24)23-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyKLZJBMDQBZZIHH-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid
CID 45346370
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
2-methyl-2-[2-methyl-4-[3-oxo-3-(4-phenylanilino)propoxy]phenoxy]propanoic acid
CID 69346287
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide (CID 18276176) is 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide is Cc1ccc(OCCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide?
The InChIKey is KLZJBMDQBZZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17-7-13-21(14-8-17)25-16-15-22(24)23-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide?
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide is sourced from PubChem (CID 18276176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).