N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide

C20H26N2O2 — CID 70784449

IUPACN-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@H]1NC(C)=O
InChIInChI=1S/C20H26N2O2/c1-3-7-17-13-22(14-19(17)21-15(2)23)12-16-8-4-5-9-18(16)20-10-6-11-24-20/h4-6,8-11,17,19H,3,7,12-14H2,1-2H3,(H,21,23)/t17-,19-/m1/s1
InChIKeyNDZMZNUAKUMLSR-IEBWSBKVSA-N
MW326.44 g/mol
LogP3.68
Rot. Bonds6

About N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70784449) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70784449
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@H]1NC(C)=O
InChIInChI=1S/C20H26N2O2/c1-3-7-17-13-22(14-19(17)21-15(2)23)12-16-8-4-5-9-18(16)20-10-6-11-24-20/h4-6,8-11,17,19H,3,7,12-14H2,1-2H3,(H,21,23)/t17-,19-/m1/s1
InChIKeyNDZMZNUAKUMLSR-IEBWSBKVSA-N
XLogP3.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide (CID 70784449) is N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is NDZMZNUAKUMLSR-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-7-17-13-22(14-19(17)21-15(2)23)12-16-8-4-5-9-18(16)20-10-6-11-24-20/h4-6,8-11,17,19H,3,7,12-14H2,1-2H3,(H,21,23)/t17-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[[2-(furan-2-yl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70784449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).