2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide

C21H19NO2 — CID 17086689

IUPAC2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H19NO2/c1-2-13-24-19-11-6-10-18(15-19)22-21(23)14-17-9-5-8-16-7-3-4-12-20(16)17/h2-12,15H,1,13-14H2,(H,22,23)
InChIKeyRZQQSGREQXPPPS-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.59
Rot. Bonds6

About 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide

2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide (PubChem CID 17086689) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
PubChem CID17086689
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H19NO2/c1-2-13-24-19-11-6-10-18(15-19)22-21(23)14-17-9-5-8-16-7-3-4-12-20(16)17/h2-12,15H,1,13-14H2,(H,22,23)
InChIKeyRZQQSGREQXPPPS-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-(4-prop-2-enoxyphenyl)acetamide
CID 4952511
2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133220
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 47071100
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
CID 120561225
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide (CID 17086689) is 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide is C=CCOc1cccc(NC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide?
The InChIKey is RZQQSGREQXPPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-13-24-19-11-6-10-18(15-19)22-21(23)14-17-9-5-8-16-7-3-4-12-20(16)17/h2-12,15H,1,13-14H2,(H,22,23).
What are the key properties of 2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide?
2-naphthalen-1-yl-N-(3-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-(3-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 17086689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).