N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide

C23H26N2O3 — CID 72919150

IUPACN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2cccc(-c3ccc(C)o3)c2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C23H26N2O3/c1-15-7-9-22(27-15)19-6-4-5-18(11-19)12-25-13-20(21(14-25)24-17(3)26)23-10-8-16(2)28-23/h4-11,20-21H,12-14H2,1-3H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyKCQUKLCUBXULJF-NHCUHLMSSA-N
MW378.47 g/mol
LogP4.26
Rot. Bonds5

About N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 72919150) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID72919150
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2cccc(-c3ccc(C)o3)c2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C23H26N2O3/c1-15-7-9-22(27-15)19-6-4-5-18(11-19)12-25-13-20(21(14-25)24-17(3)26)23-10-8-16(2)28-23/h4-11,20-21H,12-14H2,1-3H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyKCQUKLCUBXULJF-NHCUHLMSSA-N
XLogP4.26
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.26
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-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide (CID 72919150) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(Cc2cccc(-c3ccc(C)o3)c2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is KCQUKLCUBXULJF-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-7-9-22(27-15)19-6-4-5-18(11-19)12-25-13-20(21(14-25)24-17(3)26)23-10-8-16(2)28-23/h4-11,20-21H,12-14H2,1-3H3,(H,24,26)/t20-,21-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72919150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).