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

C21H30N2O4 — CID 134710294

IUPAC(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCOCC1(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CCC1
InChIInChI=1S/C21H30N2O4/c1-15(2)23-17(24)12-27-19(18(23)16-8-5-4-6-9-16)20(25)22-13-21(14-26-3)10-7-11-21/h4-6,8-9,15,18-19H,7,10-14H2,1-3H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyRVDLFCIUBQSSGZ-MOPGFXCFSA-N
MW374.48 g/mol
LogP2.30
Rot. Bonds7

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

(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 134710294) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID134710294
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCOCC1(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CCC1
InChIInChI=1S/C21H30N2O4/c1-15(2)23-17(24)12-27-19(18(23)16-8-5-4-6-9-16)20(25)22-13-21(14-26-3)10-7-11-21/h4-6,8-9,15,18-19H,7,10-14H2,1-3H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyRVDLFCIUBQSSGZ-MOPGFXCFSA-N
XLogP2.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 134710294) is (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is COCC1(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CCC1.
What is the InChIKey of (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is RVDLFCIUBQSSGZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-15(2)23-17(24)12-27-19(18(23)16-8-5-4-6-9-16)20(25)22-13-21(14-26-3)10-7-11-21/h4-6,8-9,15,18-19H,7,10-14H2,1-3H3,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134710294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).