2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide

C22H24N4O3 — CID 47486362

IUPAC2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
SMILESCC(Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C22H24N4O3/c1-15(21(27)26-22(28)25-17-7-3-4-8-17)24-18-10-12-19(13-11-18)29-20-9-5-2-6-16(20)14-23/h2,5-6,9-13,15,17,24H,3-4,7-8H2,1H3,(H2,25,26,27,28)
InChIKeyGEFRIXFJIBSLJG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.92
Rot. Bonds6

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

2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide (PubChem CID 47486362) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
PubChem CID47486362
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
SMILESCC(Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C22H24N4O3/c1-15(21(27)26-22(28)25-17-7-3-4-8-17)24-18-10-12-19(13-11-18)29-20-9-5-2-6-16(20)14-23/h2,5-6,9-13,15,17,24H,3-4,7-8H2,1H3,(H2,25,26,27,28)
InChIKeyGEFRIXFJIBSLJG-UHFFFAOYSA-N
XLogP3.92
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 47486344
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
CID 52507271
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518
2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 60583084
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577589
2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
CID 43168430
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide (CID 47486362) is 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide is CC(Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide?
The InChIKey is GEFRIXFJIBSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(21(27)26-22(28)25-17-7-3-4-8-17)24-18-10-12-19(13-11-18)29-20-9-5-2-6-16(20)14-23/h2,5-6,9-13,15,17,24H,3-4,7-8H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide?
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide is sourced from PubChem (CID 47486362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).