(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide

C22H23NO2 — CID 92683938

IUPAC(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCCc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-3-16-12-14-18(15-13-16)23-22(24)20(4-2)25-21-11-7-9-17-8-5-6-10-19(17)21/h5-15,20H,3-4H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyZOSNQADTBPUSQY-FQEVSTJZSA-N
MW333.43 g/mol
LogP5.20
Rot. Bonds6

About (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide

(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 92683938) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
PubChem CID92683938
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCCc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-3-16-12-14-18(15-13-16)23-22(24)20(4-2)25-21-11-7-9-17-8-5-6-10-19(17)21/h5-15,20H,3-4H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyZOSNQADTBPUSQY-FQEVSTJZSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
methyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43915723
(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide (CID 92683938) is (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide is CCc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is ZOSNQADTBPUSQY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-16-12-14-18(15-13-16)23-22(24)20(4-2)25-21-11-7-9-17-8-5-6-10-19(17)21/h5-15,20H,3-4H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide?
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide has a molecular weight of 333.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 92683938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).