(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide

C17H24N2O2 — CID 97221680

IUPAC(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1CC/C=C/c1cccc(OC)c1
InChIInChI=1S/C17H24N2O2/c1-18-17(20)16-10-6-12-19(16)11-4-3-7-14-8-5-9-15(13-14)21-2/h3,5,7-9,13,16H,4,6,10-12H2,1-2H3,(H,18,20)/b7-3+/t16-/m1/s1
InChIKeyJRIWPSLEGICFMR-LERPRCHQSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds6

About (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide

(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 97221680) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID97221680
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1CC/C=C/c1cccc(OC)c1
InChIInChI=1S/C17H24N2O2/c1-18-17(20)16-10-6-12-19(16)11-4-3-7-14-8-5-9-15(13-14)21-2/h3,5,7-9,13,16H,4,6,10-12H2,1-2H3,(H,18,20)/b7-3+/t16-/m1/s1
InChIKeyJRIWPSLEGICFMR-LERPRCHQSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide
CID 127264736
1-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62030100
(2R)-1-[3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922252
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 124750616
S-[4-(3-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479718
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
(2S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 72887571
N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 91840346
1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
CID 72877644
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 97062239
(2S)-1-N-[4-(3-methoxyphenyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97452585

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide (CID 97221680) is (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@H]1CCCN1CC/C=C/c1cccc(OC)c1.
What is the InChIKey of (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JRIWPSLEGICFMR-LERPRCHQSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-17(20)16-10-6-12-19(16)11-4-3-7-14-8-5-9-15(13-14)21-2/h3,5,7-9,13,16H,4,6,10-12H2,1-2H3,(H,18,20)/b7-3+/t16-/m1/s1.
What are the key properties of (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide?
(2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(E)-4-(3-methoxyphenyl)but-3-enyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97221680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).