N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide

C21H19NO3 — CID 7044052

IUPACN-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO3/c1-2-20(23)16-10-12-17(13-11-16)25-14-21(24)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyFUXMHOICMJTYDF-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.45
Rot. Bonds6

About N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide

N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide (PubChem CID 7044052) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
PubChem CID7044052
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO3/c1-2-20(23)16-10-12-17(13-11-16)25-14-21(24)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyFUXMHOICMJTYDF-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 1194588
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26706316
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300469
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide (CID 7044052) is N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide?
The InChIKey is FUXMHOICMJTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-20(23)16-10-12-17(13-11-16)25-14-21(24)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14H2,1H3,(H,22,24).
What are the key properties of N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide?
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7044052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).