N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide

C19H26N2O3 — CID 128982045

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)Cc2c(C)oc3ccccc23)N(C)C1
InChIInChI=1S/C19H26N2O3/c1-13-17(16-7-5-6-8-18(16)24-13)10-19(22)21(3)11-14-9-15(23-4)12-20(14)2/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyJOBMJHOAXDNFTF-GJZGRUSLSA-N
MW330.43 g/mol
LogP2.46
Rot. Bonds5

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 128982045) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
PubChem CID128982045
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)Cc2c(C)oc3ccccc23)N(C)C1
InChIInChI=1S/C19H26N2O3/c1-13-17(16-7-5-6-8-18(16)24-13)10-19(22)21(3)11-14-9-15(23-4)12-20(14)2/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyJOBMJHOAXDNFTF-GJZGRUSLSA-N
XLogP2.46
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128981964
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 128981937
3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 128982012
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
CID 128981996
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
CID 128979219
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 128981958
[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
CID 128981517
4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128987256
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 128981939
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 129351192

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide (CID 128982045) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide is CO[C@H]1C[C@@H](CN(C)C(=O)Cc2c(C)oc3ccccc23)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is JOBMJHOAXDNFTF-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-17(16-7-5-6-8-18(16)24-13)10-19(22)21(3)11-14-9-15(23-4)12-20(14)2/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 128982045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).