(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C20H30N2O4 — CID 100844395

IUPAC(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCOCCN(C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)[C@@H](C)COC
InChIInChI=1S/C20H30N2O4/c1-15(14-26-4)21(10-11-25-3)20(24)18-12-19(23)22(13-18)16(2)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3/t15-,16+,18+/m0/s1
InChIKeyNMUKMCSWBPJXPG-LZLYRXPVSA-N
MW362.47 g/mol
LogP2.11
Rot. Bonds9

About (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 100844395) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID100844395
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCOCCN(C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)[C@@H](C)COC
InChIInChI=1S/C20H30N2O4/c1-15(14-26-4)21(10-11-25-3)20(24)18-12-19(23)22(13-18)16(2)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3/t15-,16+,18+/m0/s1
InChIKeyNMUKMCSWBPJXPG-LZLYRXPVSA-N
XLogP2.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 100844395) is (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is COCCN(C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)[C@@H](C)COC.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is NMUKMCSWBPJXPG-LZLYRXPVSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15(14-26-4)21(10-11-25-3)20(24)18-12-19(23)22(13-18)16(2)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3/t15-,16+,18+/m0/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 100844395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).