N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide

C24H29N3O7 — CID 71693477

IUPACN-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3CO)cc2)cc1OC
InChIInChI=1S/C24H29N3O7/c1-26(2)21(29)12-27-18(13-28)23(34-14-22(27)30)15-5-8-17(9-6-15)25-24(31)16-7-10-19(32-3)20(11-16)33-4/h5-11,18,23,28H,12-14H2,1-4H3,(H,25,31)/t18-,23-/m1/s1
InChIKeyQXMOUMSVFCIYET-WZONZLPQSA-N
MW471.51 g/mol
LogP1.31
Rot. Bonds8

About N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide

N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 71693477) has the molecular formula C24H29N3O7 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
PubChem CID71693477
Molecular FormulaC24H29N3O7
Molecular Weight471.51 g/mol
Exact Mass471.20
IUPAC NameN-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3CO)cc2)cc1OC
InChIInChI=1S/C24H29N3O7/c1-26(2)21(29)12-27-18(13-28)23(34-14-22(27)30)15-5-8-17(9-6-15)25-24(31)16-7-10-19(32-3)20(11-16)33-4/h5-11,18,23,28H,12-14H2,1-4H3,(H,25,31)/t18-,23-/m1/s1
InChIKeyQXMOUMSVFCIYET-WZONZLPQSA-N
XLogP1.31
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide with MolForge

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Related Compounds

2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
CID 78150538
N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 78150443
4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150554
2-chloro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 71693465
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 78150574
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463
3-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150445
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
CID 78150344
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150375
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150332

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide (CID 71693477) is N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3CO)cc2)cc1OC.
What is the InChIKey of N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is QXMOUMSVFCIYET-WZONZLPQSA-N. The full InChI is InChI=1S/C24H29N3O7/c1-26(2)21(29)12-27-18(13-28)23(34-14-22(27)30)15-5-8-17(9-6-15)25-24(31)16-7-10-19(32-3)20(11-16)33-4/h5-11,18,23,28H,12-14H2,1-4H3,(H,25,31)/t18-,23-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 471.51 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 71693477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).