2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide

C18H26N2O4 — CID 95788402

IUPAC2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
SMILESCC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](OCC(N)=O)C1
InChIInChI=1S/C18H26N2O4/c1-3-13(2)15-6-4-5-7-16(15)24-12-18(22)20-9-8-14(10-20)23-11-17(19)21/h4-7,13-14H,3,8-12H2,1-2H3,(H2,19,21)/t13-,14-/m1/s1
InChIKeyWBWCVMQCGRDPJJ-ZIAGYGMSSA-N
MW334.42 g/mol
LogP1.68
Rot. Bonds8

About 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide

2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide (PubChem CID 95788402) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
PubChem CID95788402
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
SMILESCC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](OCC(N)=O)C1
InChIInChI=1S/C18H26N2O4/c1-3-13(2)15-6-4-5-7-16(15)24-12-18(22)20-9-8-14(10-20)23-11-17(19)21/h4-7,13-14H,3,8-12H2,1-2H3,(H2,19,21)/t13-,14-/m1/s1
InChIKeyWBWCVMQCGRDPJJ-ZIAGYGMSSA-N
XLogP1.68
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide with MolForge

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 122147702
1-[(3S)-3-aminopiperidin-1-yl]-2-[2-[(2S)-butan-2-yl]phenoxy]ethanone
CID 124628217
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 119468678
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
1-[2-(2-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63005639
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86891172
2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023413

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide?
The IUPAC name of 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide (CID 95788402) is 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide.
What is the SMILES notation for 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide?
The canonical SMILES for 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide is CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](OCC(N)=O)C1.
What is the InChIKey of 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide?
The InChIKey is WBWCVMQCGRDPJJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-13(2)15-6-4-5-7-16(15)24-12-18(22)20-9-8-14(10-20)23-11-17(19)21/h4-7,13-14H,3,8-12H2,1-2H3,(H2,19,21)/t13-,14-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide?
2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide has a molecular weight of 334.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide is sourced from PubChem (CID 95788402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).