(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

C20H29N3O3 — CID 110086955

IUPAC(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C20H29N3O3/c1-3-23-18(24)14-16(19(23)15-8-4-5-9-17(15)26-2)20(25)21-10-13-22-11-6-7-12-22/h4-5,8-9,16,19H,3,6-7,10-14H2,1-2H3,(H,21,25)/t16-,19+/m1/s1
InChIKeyKUWMEQVCELOLGG-APWZRJJASA-N
MW359.47 g/mol
LogP1.82
Rot. Bonds7

About (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 110086955) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID110086955
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C20H29N3O3/c1-3-23-18(24)14-16(19(23)15-8-4-5-9-17(15)26-2)20(25)21-10-13-22-11-6-7-12-22/h4-5,8-9,16,19H,3,6-7,10-14H2,1-2H3,(H,21,25)/t16-,19+/m1/s1
InChIKeyKUWMEQVCELOLGG-APWZRJJASA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087628
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide;formic acid
CID 171688373
(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
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110087483
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
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292771

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 110086955) is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is KUWMEQVCELOLGG-APWZRJJASA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-23-18(24)14-16(19(23)15-8-4-5-9-17(15)26-2)20(25)21-10-13-22-11-6-7-12-22/h4-5,8-9,16,19H,3,6-7,10-14H2,1-2H3,(H,21,25)/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110086955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).