(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C20H26N4O3 — CID 163336063

IUPAC(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCn1nc(C)c(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1C
InChIInChI=1S/C20H26N4O3/c1-5-24-14(3)16(13(2)22-24)11-21-20(26)19-18(15-9-7-6-8-10-15)23(4)17(25)12-27-19/h6-10,18-19H,5,11-12H2,1-4H3,(H,21,26)/t18-,19+/m0/s1
InChIKeyKXJMRTZOGHOSJJ-RBUKOAKNSA-N
MW370.45 g/mol
LogP1.73
Rot. Bonds5

About (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 163336063) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID163336063
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCn1nc(C)c(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1C
InChIInChI=1S/C20H26N4O3/c1-5-24-14(3)16(13(2)22-24)11-21-20(26)19-18(15-9-7-6-8-10-15)23(4)17(25)12-27-19/h6-10,18-19H,5,11-12H2,1-4H3,(H,21,26)/t18-,19+/m0/s1
InChIKeyKXJMRTZOGHOSJJ-RBUKOAKNSA-N
XLogP1.73
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95737990
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
CID 95737976
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2S,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730597
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442
(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
CID 100802698
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95172963
(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882824

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 163336063) is (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCn1nc(C)c(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1C.
What is the InChIKey of (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is KXJMRTZOGHOSJJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-24-14(3)16(13(2)22-24)11-21-20(26)19-18(15-9-7-6-8-10-15)23(4)17(25)12-27-19/h6-10,18-19H,5,11-12H2,1-4H3,(H,21,26)/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 163336063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).