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

C18H26N2O3 — CID 134695849

IUPAC(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NC(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-12(2)20-14(21)11-23-16(17(22)19-18(3,4)5)15(20)13-9-7-6-8-10-13/h6-10,12,15-16H,11H2,1-5H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySIEDFKKHKATWKX-CVEARBPZSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds3

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

(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 134695849) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID134695849
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NC(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-12(2)20-14(21)11-23-16(17(22)19-18(3,4)5)15(20)13-9-7-6-8-10-13/h6-10,12,15-16H,11H2,1-5H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySIEDFKKHKATWKX-CVEARBPZSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(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
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134702501
(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 162634756
(2S,3R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134712674
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406
(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134710294
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
CID 154913355

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 134695849) is (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NC(C)(C)C)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is SIEDFKKHKATWKX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)20-14(21)11-23-16(17(22)19-18(3,4)5)15(20)13-9-7-6-8-10-13/h6-10,12,15-16H,11H2,1-5H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134695849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).