2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C19H26N2O2 — CID 51505096

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C19H26N2O2/c1-3-16(12-21-8-4-5-9-21)20-19(22)11-15-13-23-18-10-14(2)6-7-17(15)18/h6-7,10,13,16H,3-5,8-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyUWIIJQYLHASQPQ-INIZCTEOSA-N
MW314.43 g/mol
LogP3.27
Rot. Bonds6

About 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 51505096) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID51505096
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C19H26N2O2/c1-3-16(12-21-8-4-5-9-21)20-19(22)11-15-13-23-18-10-14(2)6-7-17(15)18/h6-7,10,13,16H,3-5,8-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyUWIIJQYLHASQPQ-INIZCTEOSA-N
XLogP3.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 46966909
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51872361
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505135
2-(6-methyl-1-benzofuran-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504317
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51589916
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-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853710
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 51505096) is 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC[C@@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is UWIIJQYLHASQPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-16(12-21-8-4-5-9-21)20-19(22)11-15-13-23-18-10-14(2)6-7-17(15)18/h6-7,10,13,16H,3-5,8-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51505096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).