benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane

C25H31NO5 — CID 177038559

IUPACbenzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane
SMILESCOC.Cc1oc2ccc(C3CC3)cc2c1C(=O)NC(C)(C=O)CO.c1ccccc1
InChIInChI=1S/C17H19NO4.C6H6.C2H6O/c1-10-15(16(21)18-17(2,8-19)9-20)13-7-12(11-3-4-11)5-6-14(13)22-10;1-2-4-6-5-3-1;1-3-2/h5-8,11,20H,3-4,9H2,1-2H3,(H,18,21);1-6H;1-2H3
InChIKeyAUUIXWXKZSMKJN-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.25
Rot. Bonds5

About benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane

benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane (PubChem CID 177038559) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane.

Molecular Properties

Compound Namebenzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane
PubChem CID177038559
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Namebenzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane
SMILESCOC.Cc1oc2ccc(C3CC3)cc2c1C(=O)NC(C)(C=O)CO.c1ccccc1
InChIInChI=1S/C17H19NO4.C6H6.C2H6O/c1-10-15(16(21)18-17(2,8-19)9-20)13-7-12(11-3-4-11)5-6-14(13)22-10;1-2-4-6-5-3-1;1-3-2/h5-8,11,20H,3-4,9H2,1-2H3,(H,18,21);1-6H;1-2H3
InChIKeyAUUIXWXKZSMKJN-UHFFFAOYSA-N
XLogP4.25
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

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
5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 163379667
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 131920932
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide
CID 46964352
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1-benzofuran-3-carboxamide
CID 177038749
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380170
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-5-(cyclopropylmethoxy)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide;ethane
CID 170599393
5-[(cyclopentylamino)methyl]-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038610
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602

Frequently Asked Questions

What is the IUPAC name of benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane?
The IUPAC name of benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane (CID 177038559) is benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane.
What is the SMILES notation for benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane?
The canonical SMILES for benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane is COC.Cc1oc2ccc(C3CC3)cc2c1C(=O)NC(C)(C=O)CO.c1ccccc1.
What is the InChIKey of benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane?
The InChIKey is AUUIXWXKZSMKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4.C6H6.C2H6O/c1-10-15(16(21)18-17(2,8-19)9-20)13-7-12(11-3-4-11)5-6-14(13)22-10;1-2-4-6-5-3-1;1-3-2/h5-8,11,20H,3-4,9H2,1-2H3,(H,18,21);1-6H;1-2H3.
What are the key properties of benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane?
benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane has a molecular weight of 425.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-cyclopropyl-N-(1-hydroxy-2-methyl-3-oxopropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide;methoxymethane is sourced from PubChem (CID 177038559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).