N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane

C20H27FN2O5 — CID 170599393

IUPACN-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane
SMILESCC.Cc1oc2cc(F)c(OCC3CC3)cc2c1C(=O)NC(C)(CO)C(N)=O
InChIInChI=1S/C18H21FN2O5.C2H6/c1-9-15(16(23)21-18(2,8-22)17(20)24)11-5-14(25-7-10-3-4-10)12(19)6-13(11)26-9;1-2/h5-6,10,22H,3-4,7-8H2,1-2H3,(H2,20,24)(H,21,23);1-2H3
InChIKeyCSMWLIFQDBYBJL-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.66
Rot. Bonds7

About N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane

N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane (PubChem CID 170599393) has the molecular formula C20H27FN2O5 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane
PubChem CID170599393
Molecular FormulaC20H27FN2O5
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane
SMILESCC.Cc1oc2cc(F)c(OCC3CC3)cc2c1C(=O)NC(C)(CO)C(N)=O
InChIInChI=1S/C18H21FN2O5.C2H6/c1-9-15(16(23)21-18(2,8-22)17(20)24)11-5-14(25-7-10-3-4-10)12(19)6-13(11)26-9;1-2/h5-6,10,22H,3-4,7-8H2,1-2H3,(H2,20,24)(H,21,23);1-2H3
InChIKeyCSMWLIFQDBYBJL-UHFFFAOYSA-N
XLogP2.66
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl]-2-methyl-5-(2-pyridin-4-ylcyclopropyl)-1-benzofuran-3-carboxamide
CID 177038789
3-hydroxy-2-methyl-2-[[2-methyl-5-(2,2,2-trifluoroethoxy)-1-benzofuran-3-carbonyl]amino]propanoic acid
CID 170347532
N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380299
5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 163379667
tert-butyl 3,3-difluoro-4-[[6-fluoro-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carbonyl]amino]piperidine-1-carboxylate
CID 163380339
5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 175963546
methyl 2-amino-4-fluoro-5-(oxan-4-ylmethoxy)benzoate
CID 62383203
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447
benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane
CID 177038559
5-(cyclopropylmethoxy)-2-(4-fluorophenyl)-6-(methylsulfonylmethylamino)-1-benzofuran-3-carboxylic acid
CID 142773433
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 170347642
tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate
CID 167488791

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane?
The IUPAC name of N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane (CID 170599393) is N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane.
What is the SMILES notation for N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane?
The canonical SMILES for N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane is CC.Cc1oc2cc(F)c(OCC3CC3)cc2c1C(=O)NC(C)(CO)C(N)=O.
What is the InChIKey of N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane?
The InChIKey is CSMWLIFQDBYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5.C2H6/c1-9-15(16(23)21-18(2,8-22)17(20)24)11-5-14(25-7-10-3-4-10)12(19)6-13(11)26-9;1-2/h5-6,10,22H,3-4,7-8H2,1-2H3,(H2,20,24)(H,21,23);1-2H3.
What are the key properties of N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane?
N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane has a molecular weight of 394.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane is sourced from PubChem (CID 170599393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).