2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide

C16H19NO3 — CID 65453871

IUPAC2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C16H19NO3/c1-3-10-17-16(19)11(2)20-15-9-5-6-12-13(15)7-4-8-14(12)18/h3,5-6,9,11H,1,4,7-8,10H2,2H3,(H,17,19)
InChIKeyHYXUEADDCNIWSM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.28
Rot. Bonds5

About 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide

2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide (PubChem CID 65453871) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
PubChem CID65453871
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cccc2c1CCCC2=O
InChIInChI=1S/C16H19NO3/c1-3-10-17-16(19)11(2)20-15-9-5-6-12-13(15)7-4-8-14(12)18/h3,5-6,9,11H,1,4,7-8,10H2,2H3,(H,17,19)
InChIKeyHYXUEADDCNIWSM-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 65454063
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
N-(2-methoxyethyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]propanamide
CID 60705524
N,N-diethyl-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 65453882
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 77067637
2-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455007
ethyl 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]pentanoate
CID 83040061
(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 9205576
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide (CID 65453871) is 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cccc2c1CCCC2=O.
What is the InChIKey of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide?
The InChIKey is HYXUEADDCNIWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-10-17-16(19)11(2)20-15-9-5-6-12-13(15)7-4-8-14(12)18/h3,5-6,9,11H,1,4,7-8,10H2,2H3,(H,17,19).
What are the key properties of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide?
2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide has a molecular weight of 273.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 65453871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).