N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide

C19H19NO6 — CID 18505489

IUPACN-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide
SMILESCOCOc1c(C)c(-c2cc3cc(NC(C)=O)ccc3o2)oc(=O)c1C
InChIInChI=1S/C19H19NO6/c1-10-17(24-9-23-4)11(2)19(22)26-18(10)16-8-13-7-14(20-12(3)21)5-6-15(13)25-16/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyMWUBJPJVIOEZME-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.61
Rot. Bonds5

About N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide

N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide (PubChem CID 18505489) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide
PubChem CID18505489
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide
SMILESCOCOc1c(C)c(-c2cc3cc(NC(C)=O)ccc3o2)oc(=O)c1C
InChIInChI=1S/C19H19NO6/c1-10-17(24-9-23-4)11(2)19(22)26-18(10)16-8-13-7-14(20-12(3)21)5-6-15(13)25-16/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyMWUBJPJVIOEZME-UHFFFAOYSA-N
XLogP3.61
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3,5-dimethyl-2-[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]-1-benzofuran-2-yl]-6-oxopyran-4-yl] acetate
CID 18505769
[2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] acetate;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18505647
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
6-[5-[(3,5-dimethylphenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54732123
[2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] pyridine-4-carboxylate
CID 18505623
tert-butyl N-[3-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]oxymethyl]phenyl]carbamate
CID 54733738
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
dimethyl 2-[(3-acetamido-2-oxochromen-6-yl)amino]but-2-enedioate
CID 2798723
N-[(2-methyl-1-benzofuran-5-yl)carbamothioyl]acetamide
CID 20691246
N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
CID 144546170
6-[5-[(3-aminophenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54728228
2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 62705146

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide?
The IUPAC name of N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide (CID 18505489) is N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide.
What is the SMILES notation for N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide?
The canonical SMILES for N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide is COCOc1c(C)c(-c2cc3cc(NC(C)=O)ccc3o2)oc(=O)c1C.
What is the InChIKey of N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide?
The InChIKey is MWUBJPJVIOEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-10-17(24-9-23-4)11(2)19(22)26-18(10)16-8-13-7-14(20-12(3)21)5-6-15(13)25-16/h5-8H,9H2,1-4H3,(H,20,21).
What are the key properties of N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide?
N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide is sourced from PubChem (CID 18505489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).