N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide

C20H30N2O3 — CID 36567839

IUPACN-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(24)21-14-6-9-18(23)22-15-10-12-17(13-11-15)25-16-7-4-5-8-16/h10-13,16H,4-9,14H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYFBGTKDFONRKHC-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.89
Rot. Bonds7

About N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 36567839) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID36567839
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(24)21-14-6-9-18(23)22-15-10-12-17(13-11-15)25-16-7-4-5-8-16/h10-13,16H,4-9,14H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYFBGTKDFONRKHC-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide
CID 38198734
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894513
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119795197

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide (CID 36567839) is N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is YFBGTKDFONRKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)19(24)21-14-6-9-18(23)22-15-10-12-17(13-11-15)25-16-7-4-5-8-16/h10-13,16H,4-9,14H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 36567839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).