(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C24H29N3O4 — CID 8850517

IUPAC(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C24H29N3O4/c1-4-26(16-22(28)25-20-12-8-9-13-21(20)31-3)24(30)19-14-23(29)27(15-19)17(2)18-10-6-5-7-11-18/h5-13,17,19H,4,14-16H2,1-3H3,(H,25,28)/t17-,19+/m1/s1
InChIKeyPMOOBPKOCZGAEU-MJGOQNOKSA-N
MW423.51 g/mol
LogP3.09
Rot. Bonds8

About (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 8850517) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID8850517
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C24H29N3O4/c1-4-26(16-22(28)25-20-12-8-9-13-21(20)31-3)24(30)19-14-23(29)27(15-19)17(2)18-10-6-5-7-11-18/h5-13,17,19H,4,14-16H2,1-3H3,(H,25,28)/t17-,19+/m1/s1
InChIKeyPMOOBPKOCZGAEU-MJGOQNOKSA-N
XLogP3.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 40974799
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26355855
1-(2,3-dimethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330530
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330592
9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983709
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41078928
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
(3R)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40938053
[2-(2-chloroanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 124580912
[2-(2-chloroanilino)-2-oxoethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 124580915
(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 100844395
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 8850517) is (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is PMOOBPKOCZGAEU-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-26(16-22(28)25-20-12-8-9-13-21(20)31-3)24(30)19-14-23(29)27(15-19)17(2)18-10-6-5-7-11-18/h5-13,17,19H,4,14-16H2,1-3H3,(H,25,28)/t17-,19+/m1/s1.
What are the key properties of (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 8850517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).