N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide

C16H19NO2 — CID 170489393

IUPACN-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C16H19NO2/c1-12(18)17-9-3-2-4-13-5-6-15-11-16(19)8-7-14(15)10-13/h2,4-6,10H,3,7-9,11H2,1H3,(H,17,18)
InChIKeyYYVICTXZRLWDMR-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.28
Rot. Bonds4

About N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide

N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide (PubChem CID 170489393) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide
PubChem CID170489393
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C16H19NO2/c1-12(18)17-9-3-2-4-13-5-6-15-11-16(19)8-7-14(15)10-13/h2,4-6,10H,3,7-9,11H2,1H3,(H,17,18)
InChIKeyYYVICTXZRLWDMR-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 170487625
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 170498148
S-[3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)prop-2-enyl] ethanethioate
CID 169457926
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)but-3-enyl]acetamide
CID 170489483
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide (CID 170489393) is N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc2c(c1)CCC(=O)C2.
What is the InChIKey of N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide?
The InChIKey is YYVICTXZRLWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(18)17-9-3-2-4-13-5-6-15-11-16(19)8-7-14(15)10-13/h2,4-6,10H,3,7-9,11H2,1H3,(H,17,18).
What are the key properties of N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide?
N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide has a molecular weight of 257.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170489393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).