(3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H20N2O5 — CID 97040682

IUPAC(3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccoc3)CC2=O)c1
InChIInChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(8-15)20-10-13(7-17(20)22)18(23)19-9-16(21)12-5-6-25-11-12/h2-6,8,11,13,16,21H,7,9-10H2,1H3,(H,19,23)/t13-,16-/m0/s1
InChIKeyZLMFKMGIVWVCMG-BBRMVZONSA-N
MW344.37 g/mol
LogP1.49
Rot. Bonds6

About (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97040682) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97040682
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccoc3)CC2=O)c1
InChIInChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(8-15)20-10-13(7-17(20)22)18(23)19-9-16(21)12-5-6-25-11-12/h2-6,8,11,13,16,21H,7,9-10H2,1H3,(H,19,23)/t13-,16-/m0/s1
InChIKeyZLMFKMGIVWVCMG-BBRMVZONSA-N
XLogP1.49
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3,4-dimethylphenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 97040678
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55559888
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
3-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9375428
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185970
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97040682) is (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccoc3)CC2=O)c1.
What is the InChIKey of (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZLMFKMGIVWVCMG-BBRMVZONSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(8-15)20-10-13(7-17(20)22)18(23)19-9-16(21)12-5-6-25-11-12/h2-6,8,11,13,16,21H,7,9-10H2,1H3,(H,19,23)/t13-,16-/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97040682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).