N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide

C17H22N2O4 — CID 56774899

IUPACN-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C17H22N2O4/c1-19-14(9-23-10-15(19)20)16(21)11-5-7-13(8-6-11)18-17(22)12-3-2-4-12/h5-8,12,14,16,21H,2-4,9-10H2,1H3,(H,18,22)/t14-,16-/m1/s1
InChIKeyGDMXXJMGWAUBLD-GDBMZVCRSA-N
MW318.37 g/mol
LogP1.32
Rot. Bonds4

About N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide

N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 56774899) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
PubChem CID56774899
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C17H22N2O4/c1-19-14(9-23-10-15(19)20)16(21)11-5-7-13(8-6-11)18-17(22)12-3-2-4-12/h5-8,12,14,16,21H,2-4,9-10H2,1H3,(H,18,22)/t14-,16-/m1/s1
InChIKeyGDMXXJMGWAUBLD-GDBMZVCRSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774563
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774633
N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 138990882
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 56774782
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
1-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylurea
CID 56774934
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
CID 56774627
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56774566
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide (CID 56774899) is N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide is CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is GDMXXJMGWAUBLD-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-19-14(9-23-10-15(19)20)16(21)11-5-7-13(8-6-11)18-17(22)12-3-2-4-12/h5-8,12,14,16,21H,2-4,9-10H2,1H3,(H,18,22)/t14-,16-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).