(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

C17H24N2O3 — CID 97457326

IUPAC(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-5-19(6-2)17(21)16-15(18(4)14(20)11-22-16)13-9-7-12(3)8-10-13/h7-10,15-16H,5-6,11H2,1-4H3/t15-,16-/m1/s1
InChIKeyDUKNWDOTDRWZIR-HZPDHXFCSA-N
MW304.39 g/mol
LogP1.76
Rot. Bonds4

About (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 97457326) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID97457326
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-5-19(6-2)17(21)16-15(18(4)14(20)11-22-16)13-9-7-12(3)8-10-13/h7-10,15-16H,5-6,11H2,1-4H3/t15-,16-/m1/s1
InChIKeyDUKNWDOTDRWZIR-HZPDHXFCSA-N
XLogP1.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 97457326) is (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is DUKNWDOTDRWZIR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-19(6-2)17(21)16-15(18(4)14(20)11-22-16)13-9-7-12(3)8-10-13/h7-10,15-16H,5-6,11H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).