(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

C16H16N2O4 — CID 39314628

IUPAC(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H16N2O4/c19-13-5-3-12(4-6-13)17-16(21)11-8-15(20)18(9-11)10-14-2-1-7-22-14/h1-7,11,19H,8-10H2,(H,17,21)/t11-/m1/s1
InChIKeyZNCAOGSHHLHQHQ-LLVKDONJSA-N
MW300.31 g/mol
LogP1.97
Rot. Bonds4

About (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39314628) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39314628
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H16N2O4/c19-13-5-3-12(4-6-13)17-16(21)11-8-15(20)18(9-11)10-14-2-1-7-22-14/h1-7,11,19H,8-10H2,(H,17,21)/t11-/m1/s1
InChIKeyZNCAOGSHHLHQHQ-LLVKDONJSA-N
XLogP1.97
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
1-(furan-2-ylmethyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42653905
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 7987637
1-(furan-2-ylmethyl)-5-oxo-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 75801363
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 39314628) is (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZNCAOGSHHLHQHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-13-5-3-12(4-6-13)17-16(21)11-8-15(20)18(9-11)10-14-2-1-7-22-14/h1-7,11,19H,8-10H2,(H,17,21)/t11-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39314628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).