(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

C20H26N4O3 — CID 134709715

IUPAC(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N(C)Cc2cnn(C)c2)[C@H]1c1ccccc1
InChIInChI=1S/C20H26N4O3/c1-14(2)24-17(25)13-27-19(18(24)16-8-6-5-7-9-16)20(26)22(3)11-15-10-21-23(4)12-15/h5-10,12,14,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1
InChIKeyJTFBDKLJGVBUAD-MOPGFXCFSA-N
MW370.45 g/mol
LogP1.76
Rot. Bonds5

About (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 134709715) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID134709715
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)N(C)Cc2cnn(C)c2)[C@H]1c1ccccc1
InChIInChI=1S/C20H26N4O3/c1-14(2)24-17(25)13-27-19(18(24)16-8-6-5-7-9-16)20(26)22(3)11-15-10-21-23(4)12-15/h5-10,12,14,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1
InChIKeyJTFBDKLJGVBUAD-MOPGFXCFSA-N
XLogP1.76
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406
formic acid;(2S,3R)-N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 154914318
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336226
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134695849
(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134696637
(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
CID 154913355
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
CID 134696733
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134702501
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 134709715) is (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)N(C)Cc2cnn(C)c2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is JTFBDKLJGVBUAD-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)24-17(25)13-27-19(18(24)16-8-6-5-7-9-16)20(26)22(3)11-15-10-21-23(4)12-15/h5-10,12,14,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134709715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).