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

C16H24N2O3 — CID 70722066

IUPACN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H24N2O3/c1-11-3-4-16(21-11)14-9-18(10-15(14)17-12(2)19)13-5-7-20-8-6-13/h3-4,13-15H,5-10H2,1-2H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyBSNZQTWIYHJNBX-HUUCEWRRSA-N
MW292.38 g/mol
LogP1.67
Rot. Bonds3

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

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70722066) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID70722066
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H24N2O3/c1-11-3-4-16(21-11)14-9-18(10-15(14)17-12(2)19)13-5-7-20-8-6-13/h3-4,13-15H,5-10H2,1-2H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyBSNZQTWIYHJNBX-HUUCEWRRSA-N
XLogP1.67
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.67
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-(oxan-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide (CID 70722066) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C2CCOCC2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is BSNZQTWIYHJNBX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-3-4-16(21-11)14-9-18(10-15(14)17-12(2)19)13-5-7-20-8-6-13/h3-4,13-15H,5-10H2,1-2H3,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.67, 3 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-(oxan-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70722066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).