N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide

C15H19NO4 — CID 63095016

IUPACN-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc2c(c1)OCC2=O
InChIInChI=1S/C15H19NO4/c1-9(2)7-16-15(18)10(3)20-11-4-5-12-13(17)8-19-14(12)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)
InChIKeyWOKRRMADMMAUED-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide

N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide (PubChem CID 63095016) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
PubChem CID63095016
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc2c(c1)OCC2=O
InChIInChI=1S/C15H19NO4/c1-9(2)7-16-15(18)10(3)20-11-4-5-12-13(17)8-19-14(12)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)
InChIKeyWOKRRMADMMAUED-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094838
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one
CID 63095193
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
6-methoxy-1-benzofuran-3-one
CID 585368
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide (CID 63095016) is N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide is CC(C)CNC(=O)C(C)Oc1ccc2c(c1)OCC2=O.
What is the InChIKey of N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The InChIKey is WOKRRMADMMAUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(2)7-16-15(18)10(3)20-11-4-5-12-13(17)8-19-14(12)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide has a molecular weight of 277.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide is sourced from PubChem (CID 63095016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).