N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide

C22H23NO2 — CID 53284433

IUPACN-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C22H23NO2/c1-4-21(22(24)23-20-12-9-15(2)13-16(20)3)25-19-11-10-17-7-5-6-8-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)
InChIKeyYSCJMJDLLYVKEJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.25
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide

N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 53284433) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID53284433
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C22H23NO2/c1-4-21(22(24)23-20-12-9-15(2)13-16(20)3)25-19-11-10-17-7-5-6-8-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)
InChIKeyYSCJMJDLLYVKEJ-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyl-4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 46771780
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide (CID 53284433) is N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is YSCJMJDLLYVKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-21(22(24)23-20-12-9-15(2)13-16(20)3)25-19-11-10-17-7-5-6-8-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 333.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 53284433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).