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

C16H21NO4 — CID 65454442

IUPACN-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
SMILESCOCC(C)NC(=O)COc1cccc2c1CCCC2=O
InChIInChI=1S/C16H21NO4/c1-11(9-20-2)17-16(19)10-21-15-8-4-5-12-13(15)6-3-7-14(12)18/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyXCBYGYBPXXCIJJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds6

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

N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide (PubChem CID 65454442) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
PubChem CID65454442
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
SMILESCOCC(C)NC(=O)COc1cccc2c1CCCC2=O
InChIInChI=1S/C16H21NO4/c1-11(9-20-2)17-16(19)10-21-15-8-4-5-12-13(15)6-3-7-14(12)18/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyXCBYGYBPXXCIJJ-UHFFFAOYSA-N
XLogP1.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455007
N-[1-(4-fluorophenyl)ethyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 134010739
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 78902741
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide (CID 65454442) is N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide is COCC(C)NC(=O)COc1cccc2c1CCCC2=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
The InChIKey is XCBYGYBPXXCIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(9-20-2)17-16(19)10-21-15-8-4-5-12-13(15)6-3-7-14(12)18/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide is sourced from PubChem (CID 65454442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).