(2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

C19H21N3O3 — CID 110196900

IUPAC(2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O3/c1-20-18(23)17-12-16(25-15-10-6-3-7-11-15)13-22(17)19(24)21-14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
InChIKeyIFIIXMZHGBFBEQ-DLBZAZTESA-N
MW339.39 g/mol
LogP2.49
Rot. Bonds4

About (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

(2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 110196900) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID110196900
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O3/c1-20-18(23)17-12-16(25-15-10-6-3-7-11-15)13-22(17)19(24)21-14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
InChIKeyIFIIXMZHGBFBEQ-DLBZAZTESA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 110196900) is (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1ccccc1.
What is the InChIKey of (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is IFIIXMZHGBFBEQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21N3O3/c1-20-18(23)17-12-16(25-15-10-6-3-7-11-15)13-22(17)19(24)21-14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1.
What are the key properties of (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
(2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-N-methyl-4-phenoxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110196900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).