N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide

C22H23NO3 — CID 53284524

IUPACN-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCCOc1ccc(NC(=O)C(CC)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO3/c1-3-21(22(24)23-18-10-13-19(14-11-18)25-4-2)26-20-12-9-16-7-5-6-8-17(16)15-20/h5-15,21H,3-4H2,1-2H3,(H,23,24)
InChIKeyPPHMZGQSSMWVSJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.03
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide

N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 53284524) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID53284524
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCCOc1ccc(NC(=O)C(CC)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO3/c1-3-21(22(24)23-18-10-13-19(14-11-18)25-4-2)26-20-12-9-16-7-5-6-8-17(16)15-20/h5-15,21H,3-4H2,1-2H3,(H,23,24)
InChIKeyPPHMZGQSSMWVSJ-UHFFFAOYSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 17106989
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide (CID 53284524) is N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide is CCOc1ccc(NC(=O)C(CC)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is PPHMZGQSSMWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-21(22(24)23-18-10-13-19(14-11-18)25-4-2)26-20-12-9-16-7-5-6-8-17(16)15-20/h5-15,21H,3-4H2,1-2H3,(H,23,24).
What are the key properties of N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 349.43 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 53284524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).