(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide

C20H23N3O3 — CID 110196893

IUPAC(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-6-8-15(11-14)22-20(25)23-13-17(12-18(23)19(24)21-2)26-16-9-4-3-5-10-16/h3-11,17-18H,12-13H2,1-2H3,(H,21,24)(H,22,25)/t17-,18+/m0/s1
InChIKeyHCEFTHGDKCFDQU-ZWKOTPCHSA-N
MW353.42 g/mol
LogP2.79
Rot. Bonds4

About (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide

(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide (PubChem CID 110196893) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
PubChem CID110196893
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-6-8-15(11-14)22-20(25)23-13-17(12-18(23)19(24)21-2)26-16-9-4-3-5-10-16/h3-11,17-18H,12-13H2,1-2H3,(H,21,24)(H,22,25)/t17-,18+/m0/s1
InChIKeyHCEFTHGDKCFDQU-ZWKOTPCHSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.79
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-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide (CID 110196893) is (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is HCEFTHGDKCFDQU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-6-8-15(11-14)22-20(25)23-13-17(12-18(23)19(24)21-2)26-16-9-4-3-5-10-16/h3-11,17-18H,12-13H2,1-2H3,(H,21,24)(H,22,25)/t17-,18+/m0/s1.
What are the key properties of (2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide?
(2R,4S)-2-N-methyl-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.79, 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-1-N-(3-methylphenyl)-4-phenoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110196893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).