2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide

C23H33NO4 — CID 91255630

IUPAC2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide
SMILESCCCCC(CCC)(C(N)=O)c1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12
InChIInChI=1S/C23H33NO4/c1-7-9-13-23(12-8-2,21(24)26)18-16-14-15(27-6)10-11-17(16)28-19(18)20(25)22(3,4)5/h10-11,14H,7-9,12-13H2,1-6H3,(H2,24,26)
InChIKeyUCHKBNCNPWJTSY-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.38
Rot. Bonds9

About 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide

2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide (PubChem CID 91255630) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide
PubChem CID91255630
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide
SMILESCCCCC(CCC)(C(N)=O)c1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12
InChIInChI=1S/C23H33NO4/c1-7-9-13-23(12-8-2,21(24)26)18-16-14-15(27-6)10-11-17(16)28-19(18)20(25)22(3,4)5/h10-11,14H,7-9,12-13H2,1-6H3,(H2,24,26)
InChIKeyUCHKBNCNPWJTSY-UHFFFAOYSA-N
XLogP5.38
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
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-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-N-methyl-N-(3-methylbutyl)acetamide
CID 11326269
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
2-(2-methoxycarbazol-9-yl)-2-propylhexanamide
CID 91573517
5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
2-(8-methoxydibenzofuran-2-yl)sulfanylacetamide
CID 11536559
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide?
The IUPAC name of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide (CID 91255630) is 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide is CCCCC(CCC)(C(N)=O)c1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide?
The InChIKey is UCHKBNCNPWJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-7-9-13-23(12-8-2,21(24)26)18-16-14-15(27-6)10-11-17(16)28-19(18)20(25)22(3,4)5/h10-11,14H,7-9,12-13H2,1-6H3,(H2,24,26).
What are the key properties of 2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide?
2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide has a molecular weight of 387.52 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 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]-2-propylhexanamide is sourced from PubChem (CID 91255630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).