N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide

C22H23NO4 — CID 141388517

IUPACN-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide
SMILESCOc1cc(NC(=O)C2=CCOc3ccc(C)cc32)cc2c1OC(C)(C)C2
InChIInChI=1S/C22H23NO4/c1-13-5-6-18-17(9-13)16(7-8-26-18)21(24)23-15-10-14-12-22(2,3)27-20(14)19(11-15)25-4/h5-7,9-11H,8,12H2,1-4H3,(H,23,24)
InChIKeyIBCOMNSZYQMHFT-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.13
Rot. Bonds3

About N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide

N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide (PubChem CID 141388517) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide
PubChem CID141388517
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide
SMILESCOc1cc(NC(=O)C2=CCOc3ccc(C)cc32)cc2c1OC(C)(C)C2
InChIInChI=1S/C22H23NO4/c1-13-5-6-18-17(9-13)16(7-8-26-18)21(24)23-15-10-14-12-22(2,3)27-20(14)19(11-15)25-4/h5-7,9-11H,8,12H2,1-4H3,(H,23,24)
InChIKeyIBCOMNSZYQMHFT-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide with MolForge

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Related Compounds

6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide
CID 141351648
methyl 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 59560140
(5-methoxy-2,2-dimethylchromen-6-yl)-(6-methoxy-7-methyl-2H-chromen-4-yl)methanone
CID 118199572
5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide
CID 108765396
7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride
CID 84811098
1-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 141389546
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
3-hydroxy-3-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 22344164
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
CID 26842060
(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) hydrogen carbonate
CID 67793213
[5-(cyclopropylsulfamoyl)-2,2-dimethyl-3H-1-benzofuran-7-yl] acetate
CID 69174990

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide (CID 141388517) is N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide is COc1cc(NC(=O)C2=CCOc3ccc(C)cc32)cc2c1OC(C)(C)C2.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide?
The InChIKey is IBCOMNSZYQMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13-5-6-18-17(9-13)16(7-8-26-18)21(24)23-15-10-14-12-22(2,3)27-20(14)19(11-15)25-4/h5-7,9-11H,8,12H2,1-4H3,(H,23,24).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide?
N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide is sourced from PubChem (CID 141388517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).