N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

C21H30N2O2 — CID 56510652

IUPACN-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)CCN3CCCC3)c2cc1C(C)C
InChIInChI=1S/C21H30N2O2/c1-15(2)18-13-19-17(14-25-20(19)11-16(18)3)12-21(24)22(4)9-10-23-7-5-6-8-23/h11,13-15H,5-10,12H2,1-4H3
InChIKeyBVZRHTRRKIFYMM-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 56510652) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID56510652
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)CCN3CCCC3)c2cc1C(C)C
InChIInChI=1S/C21H30N2O2/c1-15(2)18-13-19-17(14-25-20(19)11-16(18)3)12-21(24)22(4)9-10-23-7-5-6-8-23/h11,13-15H,5-10,12H2,1-4H3
InChIKeyBVZRHTRRKIFYMM-UHFFFAOYSA-N
XLogP3.96
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18112303
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 18114112
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 18082511
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510653
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 86933184
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-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945815
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 33461193
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-piperidin-3-ylacetamide
CID 119424316
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3924611
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 46954636
2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 119248557

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 56510652) is N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1cc2occ(CC(=O)N(C)CCN3CCCC3)c2cc1C(C)C.
What is the InChIKey of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is BVZRHTRRKIFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)18-13-19-17(14-25-20(19)11-16(18)3)12-21(24)22(4)9-10-23-7-5-6-8-23/h11,13-15H,5-10,12H2,1-4H3.
What are the key properties of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 56510652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).