2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide

C23H30N4O2 — CID 51323432

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
SMILESCc1cc2occ(CC(=O)NCCc3nnc4n3CCCCC4)c2cc1C(C)C
InChIInChI=1S/C23H30N4O2/c1-15(2)18-13-19-17(14-29-20(19)11-16(18)3)12-23(28)24-9-8-22-26-25-21-7-5-4-6-10-27(21)22/h11,13-15H,4-10,12H2,1-3H3,(H,24,28)
InChIKeyFABNPBYZMZABIA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.08
Rot. Bonds6

About 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide (PubChem CID 51323432) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
PubChem CID51323432
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
SMILESCc1cc2occ(CC(=O)NCCc3nnc4n3CCCCC4)c2cc1C(C)C
InChIInChI=1S/C23H30N4O2/c1-15(2)18-13-19-17(14-29-20(19)11-16(18)3)12-23(28)24-9-8-22-26-25-21-7-5-4-6-10-27(21)22/h11,13-15H,4-10,12H2,1-3H3,(H,24,28)
InChIKeyFABNPBYZMZABIA-UHFFFAOYSA-N
XLogP4.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(4-methylphenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 47017167
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 86933184
2-(4-bromophenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 51304500
N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 134029690
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
2,3,5,6-tetramethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46999266
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 95321206
N-[(4-methoxyphenyl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3330142
2-[(2-methylpropan-2-yl)oxy]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 86800569
1,4,7-trimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)indole-2-carboxamide
CID 46976546
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-piperidin-3-ylacetamide
CID 119424316
2-(4-ethoxyphenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 47016858

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide (CID 51323432) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide is Cc1cc2occ(CC(=O)NCCc3nnc4n3CCCCC4)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide?
The InChIKey is FABNPBYZMZABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15(2)18-13-19-17(14-29-20(19)11-16(18)3)12-23(28)24-9-8-22-26-25-21-7-5-4-6-10-27(21)22/h11,13-15H,4-10,12H2,1-3H3,(H,24,28).
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide is sourced from PubChem (CID 51323432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).