3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

C21H27NO5 — CID 55782557

IUPAC3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-12-7-14-15(10-21(2,3)11-18(14)27-12)22-20(23)13-8-16(24-4)19(26-6)17(9-13)25-5/h7-9,15H,10-11H2,1-6H3,(H,22,23)
InChIKeyATCKBTODSNQHFI-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.06
Rot. Bonds5

About 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (PubChem CID 55782557) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
PubChem CID55782557
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-12-7-14-15(10-21(2,3)11-18(14)27-12)22-20(23)13-8-16(24-4)19(26-6)17(9-13)25-5/h7-9,15H,10-11H2,1-6H3,(H,22,23)
InChIKeyATCKBTODSNQHFI-UHFFFAOYSA-N
XLogP4.06
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 51958779
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782682
4-ethoxy-5-methoxy-2-nitro-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]benzamide
CID 51958782
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea
CID 47048314
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819
2-bromo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 106853310
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 81179233
2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43713733
(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654
1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide
CID 51958789

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (CID 55782557) is 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is COc1cc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The InChIKey is ATCKBTODSNQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-12-7-14-15(10-21(2,3)11-18(14)27-12)22-20(23)13-8-16(24-4)19(26-6)17(9-13)25-5/h7-9,15H,10-11H2,1-6H3,(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide has a molecular weight of 373.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 55782557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).