N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide

C22H30N2O6 — CID 78150776

IUPACN-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(C3CCOCC3)C2CO)cc1)C1CCOCC1
InChIInChI=1S/C22H30N2O6/c25-13-19-21(30-14-20(26)24(19)18-7-11-29-12-8-18)15-1-3-17(4-2-15)23-22(27)16-5-9-28-10-6-16/h1-4,16,18-19,21,25H,5-14H2,(H,23,27)
InChIKeyCBFGNKFVOLVGFH-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.49
Rot. Bonds5

About N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide

N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide (PubChem CID 78150776) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
PubChem CID78150776
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC NameN-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(C3CCOCC3)C2CO)cc1)C1CCOCC1
InChIInChI=1S/C22H30N2O6/c25-13-19-21(30-14-20(26)24(19)18-7-11-29-12-8-18)15-1-3-17(4-2-15)23-22(27)16-5-9-28-10-6-16/h1-4,16,18-19,21,25H,5-14H2,(H,23,27)
InChIKeyCBFGNKFVOLVGFH-UHFFFAOYSA-N
XLogP1.49
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693709
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150542
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150520
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150496
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150457
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693240
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
CID 78150679

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide (CID 78150776) is N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide is O=C(Nc1ccc(C2OCC(=O)N(C3CCOCC3)C2CO)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
The InChIKey is CBFGNKFVOLVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6/c25-13-19-21(30-14-20(26)24(19)18-7-11-29-12-8-18)15-1-3-17(4-2-15)23-22(27)16-5-9-28-10-6-16/h1-4,16,18-19,21,25H,5-14H2,(H,23,27).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 78150776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).