N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

C18H20N2O3 — CID 72849374

IUPACN-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-5-14(6-4-12)16-9-20(10-17(16)19-13(2)21)18(22)15-7-8-23-11-15/h3-8,11,16-17H,9-10H2,1-2H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyPPAGZCMNGCKNOS-DLBZAZTESA-N
MW312.37 g/mol
LogP2.33
Rot. Bonds3

About N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 72849374) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
PubChem CID72849374
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-5-14(6-4-12)16-9-20(10-17(16)19-13(2)21)18(22)15-7-8-23-11-15/h3-8,11,16-17H,9-10H2,1-2H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyPPAGZCMNGCKNOS-DLBZAZTESA-N
XLogP2.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.33
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-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (CID 72849374) is N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccc(C)cc1.
What is the InChIKey of N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PPAGZCMNGCKNOS-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-3-5-14(6-4-12)16-9-20(10-17(16)19-13(2)21)18(22)15-7-8-23-11-15/h3-8,11,16-17H,9-10H2,1-2H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(furan-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72849374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).