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

C18H22N2O4 — CID 72885353

IUPACN-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C18H22N2O4/c1-10-5-6-17(24-10)15-8-20(9-16(15)19-13(4)21)18(22)14-7-11(2)23-12(14)3/h5-7,15-16H,8-9H2,1-4H3,(H,19,21)/t15-,16-/m1/s1
InChIKeySGWZXGFORNLYSJ-HZPDHXFCSA-N
MW330.38 g/mol
LogP2.54
Rot. Bonds3

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

N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 72885353) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID72885353
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C18H22N2O4/c1-10-5-6-17(24-10)15-8-20(9-16(15)19-13(4)21)18(22)14-7-11(2)23-12(14)3/h5-7,15-16H,8-9H2,1-4H3,(H,19,21)/t15-,16-/m1/s1
InChIKeySGWZXGFORNLYSJ-HZPDHXFCSA-N
XLogP2.54
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 72885353) is N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2cc(C)oc2C)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is SGWZXGFORNLYSJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10-5-6-17(24-10)15-8-20(9-16(15)19-13(4)21)18(22)14-7-11(2)23-12(14)3/h5-7,15-16H,8-9H2,1-4H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72885353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).