(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide

C18H22N4O3 — CID 95737976

IUPAC(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-21-15(23)13-25-17(16(21)14-7-3-2-4-8-14)18(24)19-9-5-11-22-12-6-10-20-22/h2-4,6-8,10,12,16-17H,5,9,11,13H2,1H3,(H,19,24)/t16-,17-/m1/s1
InChIKeyQRTXGEWNWHWOGZ-IAGOWNOFSA-N
MW342.40 g/mol
LogP0.99
Rot. Bonds6

About (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide

(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide (PubChem CID 95737976) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
PubChem CID95737976
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-21-15(23)13-25-17(16(21)14-7-3-2-4-8-14)18(24)19-9-5-11-22-12-6-10-20-22/h2-4,6-8,10,12,16-17H,5,9,11,13H2,1H3,(H,19,24)/t16-,17-/m1/s1
InChIKeyQRTXGEWNWHWOGZ-IAGOWNOFSA-N
XLogP0.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
(2S,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
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
(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336063

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide?
The IUPAC name of (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide (CID 95737976) is (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide is CN1C(=O)CO[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide?
The InChIKey is QRTXGEWNWHWOGZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-15(23)13-25-17(16(21)14-7-3-2-4-8-14)18(24)19-9-5-11-22-12-6-10-20-22/h2-4,6-8,10,12,16-17H,5,9,11,13H2,1H3,(H,19,24)/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide?
(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide is sourced from PubChem (CID 95737976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).