4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide

C21H24N2O4 — CID 119039713

IUPAC4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCCCOc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-23-18(24)15-27-20(19(23)16-9-4-2-5-10-16)21(25)22-13-8-14-26-17-11-6-3-7-12-17/h2-7,9-12,19-20H,8,13-15H2,1H3,(H,22,25)
InChIKeyBESLCEUTQXSNEV-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.17
Rot. Bonds7

About 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide

4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide (PubChem CID 119039713) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
PubChem CID119039713
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCCCOc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-23-18(24)15-27-20(19(23)16-9-4-2-5-10-16)21(25)22-13-8-14-26-17-11-6-3-7-12-17/h2-7,9-12,19-20H,8,13-15H2,1H3,(H,22,25)
InChIKeyBESLCEUTQXSNEV-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
CID 95737976
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689376
(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739962
(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163337634
(2S,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide?
The IUPAC name of 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide (CID 119039713) is 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide is CN1C(=O)COC(C(=O)NCCCOc2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide?
The InChIKey is BESLCEUTQXSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23-18(24)15-27-20(19(23)16-9-4-2-5-10-16)21(25)22-13-8-14-26-17-11-6-3-7-12-17/h2-7,9-12,19-20H,8,13-15H2,1H3,(H,22,25).
What are the key properties of 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide?
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 119039713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).