2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide

C24H25N3O6 — CID 168537948

IUPAC2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCC1(C)OC(=O)C(=CNc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)C(=O)O1
InChIInChI=1S/C24H25N3O6/c1-24(2)32-22(29)17(23(30)33-24)15-25-18-8-4-3-7-16(18)21(28)26-19-9-5-6-10-20(19)27-11-13-31-14-12-27/h3-10,15,25H,11-14H2,1-2H3,(H,26,28)
InChIKeyRTDQFAWFROHJPI-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.91
Rot. Bonds5

About 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide

2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 168537948) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID168537948
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCC1(C)OC(=O)C(=CNc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)C(=O)O1
InChIInChI=1S/C24H25N3O6/c1-24(2)32-22(29)17(23(30)33-24)15-25-18-8-4-3-7-16(18)21(28)26-19-9-5-6-10-20(19)27-11-13-31-14-12-27/h3-10,15,25H,11-14H2,1-2H3,(H,26,28)
InChIKeyRTDQFAWFROHJPI-UHFFFAOYSA-N
XLogP2.91
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(4-ethylpiperazin-1-yl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538740
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701288
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
2-(dimethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110299292
N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832134
2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 1486987
2,2-dimethyl-5-[(2-pyrrol-1-ylanilino)methylidene]-1,3-dioxane-4,6-dione
CID 168536968
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide (CID 168537948) is 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide is CC1(C)OC(=O)C(=CNc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)C(=O)O1.
What is the InChIKey of 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is RTDQFAWFROHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-24(2)32-22(29)17(23(30)33-24)15-25-18-8-4-3-7-16(18)21(28)26-19-9-5-6-10-20(19)27-11-13-31-14-12-27/h3-10,15,25H,11-14H2,1-2H3,(H,26,28).
What are the key properties of 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 451.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 168537948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).