(2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide

C23H27N3O4 — CID 110196837

IUPAC(2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2C[C@@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H27N3O4/c1-17-6-5-7-18(14-17)24-23(28)26-16-20(30-19-8-3-2-4-9-19)15-21(26)22(27)25-10-12-29-13-11-25/h2-9,14,20-21H,10-13,15-16H2,1H3,(H,24,28)/t20-,21+/m0/s1
InChIKeyJQFQKNOUXRPOQI-LEWJYISDSA-N
MW409.49 g/mol
LogP2.91
Rot. Bonds4

About (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide

(2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide (PubChem CID 110196837) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
PubChem CID110196837
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name(2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2C[C@@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H27N3O4/c1-17-6-5-7-18(14-17)24-23(28)26-16-20(30-19-8-3-2-4-9-19)15-21(26)22(27)25-10-12-29-13-11-25/h2-9,14,20-21H,10-13,15-16H2,1H3,(H,24,28)/t20-,21+/m0/s1
InChIKeyJQFQKNOUXRPOQI-LEWJYISDSA-N
XLogP2.91
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide (CID 110196837) is (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2C[C@@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)c1.
What is the InChIKey of (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
The InChIKey is JQFQKNOUXRPOQI-LEWJYISDSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17-6-5-7-18(14-17)24-23(28)26-16-20(30-19-8-3-2-4-9-19)15-21(26)22(27)25-10-12-29-13-11-25/h2-9,14,20-21H,10-13,15-16H2,1H3,(H,24,28)/t20-,21+/m0/s1.
What are the key properties of (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide?
(2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 110196837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).