2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one

C18H25NO3 — CID 126654823

IUPAC2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one
SMILESCC(C)NC[C@@H](C)Oc1ccc2cc(C(=O)C(C)C)oc2c1
InChIInChI=1S/C18H25NO3/c1-11(2)18(20)17-8-14-6-7-15(9-16(14)22-17)21-13(5)10-19-12(3)4/h6-9,11-13,19H,10H2,1-5H3/t13-/m1/s1
InChIKeyGVEFYTAHUDESSR-CYBMUJFWSA-N
MW303.40 g/mol
LogP4.04
Rot. Bonds7

About 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one

2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one (PubChem CID 126654823) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one
PubChem CID126654823
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one
SMILESCC(C)NC[C@@H](C)Oc1ccc2cc(C(=O)C(C)C)oc2c1
InChIInChI=1S/C18H25NO3/c1-11(2)18(20)17-8-14-6-7-15(9-16(14)22-17)21-13(5)10-19-12(3)4/h6-9,11-13,19H,10H2,1-5H3/t13-/m1/s1
InChIKeyGVEFYTAHUDESSR-CYBMUJFWSA-N
XLogP4.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one with MolForge

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Related Compounds

N-[(2S)-2-[[2-(2-methylpropanoyl)-1-benzofuran-5-yl]oxy]propyl]methanesulfinothioamide
CID 146520382
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
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2-methyl-1-[6-[3-(methylsulfanylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one
CID 126672009
2-methyl-1-[6-[3-(1-sulfanylethylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one
CID 135278906
2-methyl-1-[5-[3-(sulfanylamino)propoxy]-1-benzofuran-2-yl]propan-1-one
CID 167256709
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone
CID 142327542
(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one (CID 126654823) is 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one is CC(C)NC[C@@H](C)Oc1ccc2cc(C(=O)C(C)C)oc2c1.
What is the InChIKey of 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one?
The InChIKey is GVEFYTAHUDESSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(2)18(20)17-8-14-6-7-15(9-16(14)22-17)21-13(5)10-19-12(3)4/h6-9,11-13,19H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one?
2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one has a molecular weight of 303.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one is sourced from PubChem (CID 126654823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).