2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide

C22H31NO4 — CID 11326269

IUPAC2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide
SMILESCOc1ccc2oc(C(=O)C(C)(C)C)c(CC(=O)N(C)CCC(C)C)c2c1
InChIInChI=1S/C22H31NO4/c1-14(2)10-11-23(6)19(24)13-17-16-12-15(26-7)8-9-18(16)27-20(17)21(25)22(3,4)5/h8-9,12,14H,10-11,13H2,1-7H3
InChIKeyHHMVIPHMTWQVOP-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.72
Rot. Bonds7

About 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide

2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide (PubChem CID 11326269) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide
PubChem CID11326269
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide
SMILESCOc1ccc2oc(C(=O)C(C)(C)C)c(CC(=O)N(C)CCC(C)C)c2c1
InChIInChI=1S/C22H31NO4/c1-14(2)10-11-23(6)19(24)13-17-16-12-15(26-7)8-9-18(16)27-20(17)21(25)22(3,4)5/h8-9,12,14H,10-11,13H2,1-7H3
InChIKeyHHMVIPHMTWQVOP-UHFFFAOYSA-N
XLogP4.72
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-3,3-dimethylbutan-2-one
CID 11359446
[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl] acetate
CID 68949362
5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 51597039
N-(2-hydroxyethyl)-2-(5-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 110488782
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide
CID 91255630
5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8820536
(3-methyl-4-propan-2-ylphenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7927177
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide (CID 11326269) is 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide is COc1ccc2oc(C(=O)C(C)(C)C)c(CC(=O)N(C)CCC(C)C)c2c1.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide?
The InChIKey is HHMVIPHMTWQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-14(2)10-11-23(6)19(24)13-17-16-12-15(26-7)8-9-18(16)27-20(17)21(25)22(3,4)5/h8-9,12,14H,10-11,13H2,1-7H3.
What are the key properties of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide?
2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide has a molecular weight of 373.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 11326269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).