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

C16H18N2O4 — CID 51106504

IUPAC2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C16H18N2O4/c1-2-8-17-16(21)18-15(20)10-22-12-6-7-13-11(9-12)4-3-5-14(13)19/h2,6-7,9H,1,3-5,8,10H2,(H2,17,18,20,21)
InChIKeyFYTAJSSKTOTLPE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.60
Rot. Bonds5

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

2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 51106504) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID51106504
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C16H18N2O4/c1-2-8-17-16(21)18-15(20)10-22-12-6-7-13-11(9-12)4-3-5-14(13)19/h2,6-7,9H,1,3-5,8,10H2,(H2,17,18,20,21)
InChIKeyFYTAJSSKTOTLPE-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]methyl]phenyl] prop-2-enoate
CID 175183974
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 54908616
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate
CID 155168644
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
N-fluoro-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 143296533
6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
CID 107007273
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide
CID 94817711
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide (CID 51106504) is 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)COc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is FYTAJSSKTOTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-8-17-16(21)18-15(20)10-22-12-6-7-13-11(9-12)4-3-5-14(13)19/h2,6-7,9H,1,3-5,8,10H2,(H2,17,18,20,21).
What are the key properties of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 51106504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).