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

C21H29N3O6 — CID 78150542

IUPACN-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
SMILESCN(C)C(=O)CN1C(=O)COC(c2ccc(NC(=O)C3CCOCC3)cc2)C1CO
InChIInChI=1S/C21H29N3O6/c1-23(2)18(26)11-24-17(12-25)20(30-13-19(24)27)14-3-5-16(6-4-14)22-21(28)15-7-9-29-10-8-15/h3-6,15,17,20,25H,7-13H2,1-2H3,(H,22,28)
InChIKeyNOVDEEPQCNWGEM-UHFFFAOYSA-N
MW419.48 g/mol
LogP0.40
Rot. Bonds6

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

N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide (PubChem CID 78150542) has the molecular formula C21H29N3O6 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
PubChem CID78150542
Molecular FormulaC21H29N3O6
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC NameN-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
SMILESCN(C)C(=O)CN1C(=O)COC(c2ccc(NC(=O)C3CCOCC3)cc2)C1CO
InChIInChI=1S/C21H29N3O6/c1-23(2)18(26)11-24-17(12-25)20(30-13-19(24)27)14-3-5-16(6-4-14)22-21(28)15-7-9-29-10-8-15/h3-6,15,17,20,25H,7-13H2,1-2H3,(H,22,28)
InChIKeyNOVDEEPQCNWGEM-UHFFFAOYSA-N
XLogP0.40
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150520
N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150776
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693709
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide
CID 71693487
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150496
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150457
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide (CID 78150542) is N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide is CN(C)C(=O)CN1C(=O)COC(c2ccc(NC(=O)C3CCOCC3)cc2)C1CO.
What is the InChIKey of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
The InChIKey is NOVDEEPQCNWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6/c1-23(2)18(26)11-24-17(12-25)20(30-13-19(24)27)14-3-5-16(6-4-14)22-21(28)15-7-9-29-10-8-15/h3-6,15,17,20,25H,7-13H2,1-2H3,(H,22,28).
What are the key properties of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide?
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 78150542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).