N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide

C21H22N4O3 — CID 42923359

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)OC(C)C2
InChIInChI=1S/C21H22N4O3/c1-4-27-19-11-15-10-13(2)28-18(15)12-17(19)22-21(26)20-14(3)23-25(24-20)16-8-6-5-7-9-16/h5-9,11-13H,4,10H2,1-3H3,(H,22,26)
InChIKeyFWTMUUIOWQZWCY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.55
Rot. Bonds5

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 42923359) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID42923359
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)OC(C)C2
InChIInChI=1S/C21H22N4O3/c1-4-27-19-11-15-10-13(2)28-18(15)12-17(19)22-21(26)20-14(3)23-25(24-20)16-8-6-5-7-9-16/h5-9,11-13H,4,10H2,1-3H3,(H,22,26)
InChIKeyFWTMUUIOWQZWCY-UHFFFAOYSA-N
XLogP3.55
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929772
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 97029732
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55477803
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30213686
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide
CID 112803199
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34167641
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
CID 166295819
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 42923359) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide is CCOc1cc2c(cc1NC(=O)c1nn(-c3ccccc3)nc1C)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is FWTMUUIOWQZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-27-19-11-15-10-13(2)28-18(15)12-17(19)22-21(26)20-14(3)23-25(24-20)16-8-6-5-7-9-16/h5-9,11-13H,4,10H2,1-3H3,(H,22,26).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 42923359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).