(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C22H20N2O4 — CID 51965283

IUPAC(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H20N2O4/c25-20-13-17(14-24(20)11-10-15-4-2-1-3-5-15)22(27)23-18-7-8-19-16(12-18)6-9-21(26)28-19/h1-9,12,17H,10-11,13-14H2,(H,23,27)/t17-/m1/s1
InChIKeyLFXGZBBISIQLGZ-QGZVFWFLSA-N
MW376.41 g/mol
LogP2.82
Rot. Bonds5

About (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 51965283) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID51965283
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H20N2O4/c25-20-13-17(14-24(20)11-10-15-4-2-1-3-5-15)22(27)23-18-7-8-19-16(12-18)6-9-21(26)28-19/h1-9,12,17H,10-11,13-14H2,(H,23,27)/t17-/m1/s1
InChIKeyLFXGZBBISIQLGZ-QGZVFWFLSA-N
XLogP2.82
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187342
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51881813
N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185321
(3S)-1-(4-bromophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 39342440
(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92736433

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 51965283) is (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is LFXGZBBISIQLGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-20-13-17(14-24(20)11-10-15-4-2-1-3-5-15)22(27)23-18-7-8-19-16(12-18)6-9-21(26)28-19/h1-9,12,17H,10-11,13-14H2,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51965283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).