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

C19H30N2O3 — CID 59306026

IUPAC(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
SMILESCO[C@H]([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C
InChIInChI=1S/C19H30N2O3/c1-13(18(24-4)16-11-8-12-21(16)3)19(23)20-14(2)17(22)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18,22H,8,11-12H2,1-4H3,(H,20,23)/t13-,14-,16+,17-,18-/m1/s1
InChIKeyBOLLNYVTYCBVAX-AGTSVGGPSA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds7

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

(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide (PubChem CID 59306026) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-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-methylpyrrolidin-2-yl]propanamide
PubChem CID59306026
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
SMILESCO[C@H]([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C
InChIInChI=1S/C19H30N2O3/c1-13(18(24-4)16-11-8-12-21(16)3)19(23)20-14(2)17(22)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18,22H,8,11-12H2,1-4H3,(H,20,23)/t13-,14-,16+,17-,18-/m1/s1
InChIKeyBOLLNYVTYCBVAX-AGTSVGGPSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-methylpyrrolidin-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-methylpyrrolidin-2-yl]propanamide (CID 59306026) is (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-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-methylpyrrolidin-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-methylpyrrolidin-2-yl]propanamide is CO[C@H]([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C.
What is the InChIKey of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide?
The InChIKey is BOLLNYVTYCBVAX-AGTSVGGPSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(18(24-4)16-11-8-12-21(16)3)19(23)20-14(2)17(22)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18,22H,8,11-12H2,1-4H3,(H,20,23)/t13-,14-,16+,17-,18-/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-methylpyrrolidin-2-yl]propanamide?
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 7 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-methylpyrrolidin-2-yl]propanamide is sourced from PubChem (CID 59306026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).