2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide

C21H25N3O2 — CID 47486344

IUPAC2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C21H25N3O2/c1-5-21(3,4)24-20(25)15(2)23-17-10-12-18(13-11-17)26-19-9-7-6-8-16(19)14-22/h6-13,15,23H,5H2,1-4H3,(H,24,25)
InChIKeySDCUSYBBPSHRAR-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.46
Rot. Bonds7

About 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide

2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 47486344) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID47486344
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C21H25N3O2/c1-5-21(3,4)24-20(25)15(2)23-17-10-12-18(13-11-17)26-19-9-7-6-8-16(19)14-22/h6-13,15,23H,5H2,1-4H3,(H,24,25)
InChIKeySDCUSYBBPSHRAR-UHFFFAOYSA-N
XLogP4.46
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 60583084
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
CID 47486362
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
CID 52507271
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide
CID 40792700
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide (CID 47486344) is 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is SDCUSYBBPSHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-5-21(3,4)24-20(25)15(2)23-17-10-12-18(13-11-17)26-19-9-7-6-8-16(19)14-22/h6-13,15,23H,5H2,1-4H3,(H,24,25).
What are the key properties of 2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide?
2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 4.46, 7 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-methylbutan-2-yl)propanamide is sourced from PubChem (CID 47486344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).