(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

C20H29N3O4 — CID 134702501

IUPAC(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H29N3O4/c1-15(2)23-17(24)14-27-19(18(23)16-6-4-3-5-7-16)20(25)21-8-9-22-10-12-26-13-11-22/h3-7,15,18-19H,8-14H2,1-2H3,(H,21,25)/t18-,19+/m1/s1
InChIKeyXGXWCCQGTFBKQD-MOPGFXCFSA-N
MW375.47 g/mol
LogP0.81
Rot. Bonds6

About (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 134702501) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID134702501
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H29N3O4/c1-15(2)23-17(24)14-27-19(18(23)16-6-4-3-5-7-16)20(25)21-8-9-22-10-12-26-13-11-22/h3-7,15,18-19H,8-14H2,1-2H3,(H,21,25)/t18-,19+/m1/s1
InChIKeyXGXWCCQGTFBKQD-MOPGFXCFSA-N
XLogP0.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide with MolForge

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Related Compounds

(2S,3S)-3-(2-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-5-oxomorpholine-2-carboxamide
CID 95739849
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134695849
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
CID 134696733
(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 156586551
(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 162634756
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
CID 91957637
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 134702501) is (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is XGXWCCQGTFBKQD-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(2)23-17(24)14-27-19(18(23)16-6-4-3-5-7-16)20(25)21-8-9-22-10-12-26-13-11-22/h3-7,15,18-19H,8-14H2,1-2H3,(H,21,25)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134702501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).