N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide

C16H20N2O3 — CID 146448763

IUPACN-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOc1ccc2c(c1N)C(=O)CCC2
InChIInChI=1S/C16H20N2O3/c1-10(2)16(20)18-8-9-21-13-7-6-11-4-3-5-12(19)14(11)15(13)17/h6-7H,1,3-5,8-9,17H2,2H3,(H,18,20)
InChIKeyOAKMLKAYWABODE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide

N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide (PubChem CID 146448763) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide
PubChem CID146448763
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOc1ccc2c(c1N)C(=O)CCC2
InChIInChI=1S/C16H20N2O3/c1-10(2)16(20)18-8-9-21-13-7-6-11-4-3-5-12(19)14(11)15(13)17/h6-7H,1,3-5,8-9,17H2,2H3,(H,18,20)
InChIKeyOAKMLKAYWABODE-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide (CID 146448763) is N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCOc1ccc2c(c1N)C(=O)CCC2.
What is the InChIKey of N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide?
The InChIKey is OAKMLKAYWABODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)16(20)18-8-9-21-13-7-6-11-4-3-5-12(19)14(11)15(13)17/h6-7H,1,3-5,8-9,17H2,2H3,(H,18,20).
What are the key properties of N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide?
N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 146448763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).