(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H26N2O5 — CID 110087628

IUPAC(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1OC
InChIInChI=1S/C18H26N2O5/c1-24-11-9-20-16(22)12-14(18(23)19-8-5-10-21)17(20)13-6-3-4-7-15(13)25-2/h3-4,6-7,14,17,21H,5,8-12H2,1-2H3,(H,19,23)/t14-,17+/m1/s1
InChIKeyWPFVRHDBMXGHNP-PBHICJAKSA-N
MW350.42 g/mol
LogP0.73
Rot. Bonds9

About (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087628) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110087628
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1OC
InChIInChI=1S/C18H26N2O5/c1-24-11-9-20-16(22)12-14(18(23)19-8-5-10-21)17(20)13-6-3-4-7-15(13)25-2/h3-4,6-7,14,17,21H,5,8-12H2,1-2H3,(H,19,23)/t14-,17+/m1/s1
InChIKeyWPFVRHDBMXGHNP-PBHICJAKSA-N
XLogP0.73
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110086955
(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 110087342
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide;formic acid
CID 171688373
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 110087105
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065115
(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065116
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 46521632
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 110087628) is (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COCCN1C(=O)C[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WPFVRHDBMXGHNP-PBHICJAKSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-24-11-9-20-16(22)12-14(18(23)19-8-5-10-21)17(20)13-6-3-4-7-15(13)25-2/h3-4,6-7,14,17,21H,5,8-12H2,1-2H3,(H,19,23)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).