(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C19H23NO4 — CID 129346073

IUPAC(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1oc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)cc1C
InChIInChI=1S/C19H23NO4/c1-4-17-12(2)8-18(24-17)19(22)20-11-14(21)10-16(20)13-6-5-7-15(9-13)23-3/h5-9,14,16,21H,4,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyKALWWJHJHKTWIO-GOEBONIOSA-N
MW329.40 g/mol
LogP3.11
Rot. Bonds4

About (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 129346073) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID129346073
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1oc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)cc1C
InChIInChI=1S/C19H23NO4/c1-4-17-12(2)8-18(24-17)19(22)20-11-14(21)10-16(20)13-6-5-7-15(9-13)23-3/h5-9,14,16,21H,4,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyKALWWJHJHKTWIO-GOEBONIOSA-N
XLogP3.11
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 129481695
(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481343
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 128965921
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129481486
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 128965922
(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481766
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481435
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472
(1,3-dimethylpyrrol-2-yl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346275
furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481618
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346475

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 129346073) is (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is CCc1oc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)cc1C.
What is the InChIKey of (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is KALWWJHJHKTWIO-GOEBONIOSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-17-12(2)8-18(24-17)19(22)20-11-14(21)10-16(20)13-6-5-7-15(9-13)23-3/h5-9,14,16,21H,4,10-11H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129346073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).