2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide

C24H23N3O2 — CID 47486358

IUPAC2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C24H23N3O2/c1-16-7-6-8-17(2)23(16)27-24(28)18(3)26-20-11-13-21(14-12-20)29-22-10-5-4-9-19(22)15-25/h4-14,18,26H,1-3H3,(H,27,28)
InChIKeyMTVXFFFRSPKRGK-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.41
Rot. Bonds6

About 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide

2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 47486358) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID47486358
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C24H23N3O2/c1-16-7-6-8-17(2)23(16)27-24(28)18(3)26-20-11-13-21(14-12-20)29-22-10-5-4-9-19(22)15-25/h4-14,18,26H,1-3H3,(H,27,28)
InChIKeyMTVXFFFRSPKRGK-UHFFFAOYSA-N
XLogP5.41
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)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

2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 47486344
2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 60583084
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
CID 52507271
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
CID 47486362
(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide
CID 40792700
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
CID 55545093
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide (CID 47486358) is 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)C(C)Nc1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is MTVXFFFRSPKRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-7-6-8-17(2)23(16)27-24(28)18(3)26-20-11-13-21(14-12-20)29-22-10-5-4-9-19(22)15-25/h4-14,18,26H,1-3H3,(H,27,28).
What are the key properties of 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide?
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 385.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 47486358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).