(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide

C21H32N2O4 — CID 58490990

IUPAC(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide
SMILESCCC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H32N2O4/c1-5-18(24)23-13-9-12-17(23)20(27-4)14(2)21(26)22-15(3)19(25)16-10-7-6-8-11-16/h6-8,10-11,14-15,17,19-20,25H,5,9,12-13H2,1-4H3,(H,22,26)/t14-,15-,17+,19-,20-/m1/s1
InChIKeyNDDGUIHWZVYARL-OZRBRLMWSA-N
MW376.50 g/mol
LogP2.28
Rot. Bonds8

About (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide

(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide (PubChem CID 58490990) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide
PubChem CID58490990
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide
SMILESCCC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H32N2O4/c1-5-18(24)23-13-9-12-17(23)20(27-4)14(2)21(26)22-15(3)19(25)16-10-7-6-8-11-16/h6-8,10-11,14-15,17,19-20,25H,5,9,12-13H2,1-4H3,(H,22,26)/t14-,15-,17+,19-,20-/m1/s1
InChIKeyNDDGUIHWZVYARL-OZRBRLMWSA-N
XLogP2.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide?
The IUPAC name of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide (CID 58490990) is (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide.
What is the SMILES notation for (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide?
The canonical SMILES for (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide is CCC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide?
The InChIKey is NDDGUIHWZVYARL-OZRBRLMWSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-5-18(24)23-13-9-12-17(23)20(27-4)14(2)21(26)22-15(3)19(25)16-10-7-6-8-11-16/h6-8,10-11,14-15,17,19-20,25H,5,9,12-13H2,1-4H3,(H,22,26)/t14-,15-,17+,19-,20-/m1/s1.
What are the key properties of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide?
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide is sourced from PubChem (CID 58490990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).