2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide

C20H29N3O2 — CID 46966909

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCCC(CN1CCN(C)CC1)NC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C20H29N3O2/c1-4-17(13-23-9-7-22(3)8-10-23)21-20(24)12-16-14-25-19-11-15(2)5-6-18(16)19/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3,(H,21,24)
InChIKeyBNYKETPGDXYZAX-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.43
Rot. Bonds6

About 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide (PubChem CID 46966909) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
PubChem CID46966909
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCCC(CN1CCN(C)CC1)NC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C20H29N3O2/c1-4-17(13-23-9-7-22(3)8-10-23)21-20(24)12-16-14-25-19-11-15(2)5-6-18(16)19/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3,(H,21,24)
InChIKeyBNYKETPGDXYZAX-UHFFFAOYSA-N
XLogP2.43
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51589916
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 86877247
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51590240
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51872361
2-(6-methyl-1-benzofuran-3-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 56722484
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 24504197
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673953
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877348

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide (CID 46966909) is 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide is CCC(CN1CCN(C)CC1)NC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The InChIKey is BNYKETPGDXYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-17(13-23-9-7-22(3)8-10-23)21-20(24)12-16-14-25-19-11-15(2)5-6-18(16)19/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 46966909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).