N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide

C21H23NO4 — CID 157017063

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1cccc3c1COC3)CC(C)(C)O2
InChIInChI=1S/C21H23NO4/c1-21(2)10-18(16-9-14(24-3)7-8-19(16)26-21)22-20(23)15-6-4-5-13-11-25-12-17(13)15/h4-9,18H,10-12H2,1-3H3,(H,22,23)
InChIKeyAFXPLDOLCTYCOL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.76
Rot. Bonds3

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide (PubChem CID 157017063) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
PubChem CID157017063
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1cccc3c1COC3)CC(C)(C)O2
InChIInChI=1S/C21H23NO4/c1-21(2)10-18(16-9-14(24-3)7-8-19(16)26-21)22-20(23)15-6-4-5-13-11-25-12-17(13)15/h4-9,18H,10-12H2,1-3H3,(H,22,23)
InChIKeyAFXPLDOLCTYCOL-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-propan-2-ylsulfanylbenzamide
CID 132658177
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746490
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746497
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77097764
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide (CID 157017063) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide is COc1ccc2c(c1)C(NC(=O)c1cccc3c1COC3)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide?
The InChIKey is AFXPLDOLCTYCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2)10-18(16-9-14(24-3)7-8-19(16)26-21)22-20(23)15-6-4-5-13-11-25-12-17(13)15/h4-9,18H,10-12H2,1-3H3,(H,22,23).
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide is sourced from PubChem (CID 157017063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).