2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide

C21H19NO2 — CID 4952511

IUPAC2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO2/c1-2-14-24-19-12-10-18(11-13-19)22-21(23)15-17-8-5-7-16-6-3-4-9-20(16)17/h2-13H,1,14-15H2,(H,22,23)
InChIKeyKPXAXXSNVZLYLM-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.59
Rot. Bonds6

About 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide

2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 4952511) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID4952511
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO2/c1-2-14-24-19-12-10-18(11-13-19)22-21(23)15-17-8-5-7-16-6-3-4-9-20(16)17/h2-13H,1,14-15H2,(H,22,23)
InChIKeyKPXAXXSNVZLYLM-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
CID 168522487
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide (CID 4952511) is 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is KPXAXXSNVZLYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-14-24-19-12-10-18(11-13-19)22-21(23)15-17-8-5-7-16-6-3-4-9-20(16)17/h2-13H,1,14-15H2,(H,22,23).
What are the key properties of 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide?
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 4952511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).