2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C17H26N2O4 — CID 128982918

IUPAC2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CN2C[C@@H](OC)C[C@H]2CO)c1
InChIInChI=1S/C17H26N2O4/c1-18(9-13-5-4-6-15(7-13)22-2)17(21)11-19-10-16(23-3)8-14(19)12-20/h4-7,14,16,20H,8-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyOVWOAFGNVOFBFY-HOCLYGCPSA-N
MW322.41 g/mol
LogP0.74
Rot. Bonds7

About 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 128982918) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID128982918
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CN2C[C@@H](OC)C[C@H]2CO)c1
InChIInChI=1S/C17H26N2O4/c1-18(9-13-5-4-6-15(7-13)22-2)17(21)11-19-10-16(23-3)8-14(19)12-20/h4-7,14,16,20H,8-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyOVWOAFGNVOFBFY-HOCLYGCPSA-N
XLogP0.74
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 128982821
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569893
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128984749
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128985160
N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 78827369
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55353772
2-[(4R)-1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]azepan-4-yl]acetic acid
CID 129489300
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
CID 128971410

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 128982918) is 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)CN2C[C@@H](OC)C[C@H]2CO)c1.
What is the InChIKey of 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is OVWOAFGNVOFBFY-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-18(9-13-5-4-6-15(7-13)22-2)17(21)11-19-10-16(23-3)8-14(19)12-20/h4-7,14,16,20H,8-12H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 322.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 128982918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).