4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide

C22H21NO3 — CID 880449

IUPAC4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO3/c1-2-26-18-12-10-17(11-13-18)21(24)14-15-22(25)23-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,23,25)
InChIKeyIXNVSTISOVPYNI-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.84
Rot. Bonds7

About 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide

4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide (PubChem CID 880449) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
PubChem CID880449
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO3/c1-2-26-18-12-10-17(11-13-18)21(24)14-15-22(25)23-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,23,25)
InChIKeyIXNVSTISOVPYNI-UHFFFAOYSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
N-(3-acetamido-2-methylphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 134019287
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751729
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide (CID 880449) is 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide?
The InChIKey is IXNVSTISOVPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-2-26-18-12-10-17(11-13-18)21(24)14-15-22(25)23-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,23,25).
What are the key properties of 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide has a molecular weight of 347.41 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide is sourced from PubChem (CID 880449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).