2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide

C22H31N3O4 — CID 86933184

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
SMILESCc1cc2occ(CC(=O)NCC(=O)NCCN3CCOCC3)c2cc1C(C)C
InChIInChI=1S/C22H31N3O4/c1-15(2)18-12-19-17(14-29-20(19)10-16(18)3)11-21(26)24-13-22(27)23-4-5-25-6-8-28-9-7-25/h10,12,14-15H,4-9,11,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyATRODEUBRMBVOJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.97
Rot. Bonds8

About 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide (PubChem CID 86933184) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
PubChem CID86933184
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
SMILESCc1cc2occ(CC(=O)NCC(=O)NCCN3CCOCC3)c2cc1C(C)C
InChIInChI=1S/C22H31N3O4/c1-15(2)18-12-19-17(14-29-20(19)10-16(18)3)11-21(26)24-13-22(27)23-4-5-25-6-8-28-9-7-25/h10,12,14-15H,4-9,11,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyATRODEUBRMBVOJ-UHFFFAOYSA-N
XLogP1.97
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336
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
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18168407
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
1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 56537953
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 18082511
N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32905444
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18102254

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide (CID 86933184) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide is Cc1cc2occ(CC(=O)NCC(=O)NCCN3CCOCC3)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
The InChIKey is ATRODEUBRMBVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-15(2)18-12-19-17(14-29-20(19)10-16(18)3)11-21(26)24-13-22(27)23-4-5-25-6-8-28-9-7-25/h10,12,14-15H,4-9,11,13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 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-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 86933184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).