[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate

C17H21NO4 — CID 46622127

IUPAC[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCCCNC(=O)C(C)OC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C17H21NO4/c1-4-7-18-17(20)12(3)22-16(19)9-13-10-21-15-8-11(2)5-6-14(13)15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,20)
InChIKeyYDLWRJWJBDSSAS-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.74
Rot. Bonds6

About [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate

[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 46622127) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID46622127
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCCCNC(=O)C(C)OC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C17H21NO4/c1-4-7-18-17(20)12(3)22-16(19)9-13-10-21-15-8-11(2)5-6-14(13)15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,20)
InChIKeyYDLWRJWJBDSSAS-UHFFFAOYSA-N
XLogP2.74
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872173
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8737539
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 46669353
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525198
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872199
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8737660
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8740969
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8023293
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 46795606
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 55420569
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8737699
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8737700

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 46622127) is [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate is CCCNC(=O)C(C)OC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is YDLWRJWJBDSSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-7-18-17(20)12(3)22-16(19)9-13-10-21-15-8-11(2)5-6-14(13)15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,20).
What are the key properties of [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 303.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 46622127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).