N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide

C20H28N2O3 — CID 133117853

IUPACN-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2OC)C[C@H]1C1CC1
InChIInChI=1S/C20H28N2O3/c1-24-14-20(23)21-18-13-22(12-17(18)15-9-10-15)11-5-7-16-6-3-4-8-19(16)25-2/h3-8,15,17-18H,9-14H2,1-2H3,(H,21,23)/b7-5+/t17-,18+/m0/s1
InChIKeyAHSWRDXBXDQGGO-AAXUHFPESA-N
MW344.45 g/mol
LogP2.18
Rot. Bonds8

About N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 133117853) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID133117853
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2OC)C[C@H]1C1CC1
InChIInChI=1S/C20H28N2O3/c1-24-14-20(23)21-18-13-22(12-17(18)15-9-10-15)11-5-7-16-6-3-4-8-19(16)25-2/h3-8,15,17-18H,9-14H2,1-2H3,(H,21,23)/b7-5+/t17-,18+/m0/s1
InChIKeyAHSWRDXBXDQGGO-AAXUHFPESA-N
XLogP2.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide (CID 133117853) is N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2OC)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is AHSWRDXBXDQGGO-AAXUHFPESA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-14-20(23)21-18-13-22(12-17(18)15-9-10-15)11-5-7-16-6-3-4-8-19(16)25-2/h3-8,15,17-18H,9-14H2,1-2H3,(H,21,23)/b7-5+/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 344.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 133117853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).