2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide

C15H16N2O5 — CID 168540558

IUPAC2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
SMILESCC1(C)OC(=O)C(=CNc2ccc(CC(N)=O)cc2)C(=O)O1
InChIInChI=1S/C15H16N2O5/c1-15(2)21-13(19)11(14(20)22-15)8-17-10-5-3-9(4-6-10)7-12(16)18/h3-6,8,17H,7H2,1-2H3,(H2,16,18)
InChIKeyAPEBEVMFZQUKCI-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide

2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide (PubChem CID 168540558) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
PubChem CID168540558
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
SMILESCC1(C)OC(=O)C(=CNc2ccc(CC(N)=O)cc2)C(=O)O1
InChIInChI=1S/C15H16N2O5/c1-15(2)21-13(19)11(14(20)22-15)8-17-10-5-3-9(4-6-10)7-12(16)18/h3-6,8,17H,7H2,1-2H3,(H2,16,18)
InChIKeyAPEBEVMFZQUKCI-UHFFFAOYSA-N
XLogP0.85
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(Anilinomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 576126
5-{[(2-Fluoro-5-methylphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 757269
Diethyl 2-((p-tolylamino)methylene)malonate
CID 3851642
2,2-Dimethyl-5-[[3-(trifluoromethyl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 691117
3-{[(3-Acetylphenyl)amino]methylene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 757289
3-[(4-Butyl-phenylamino)-methylene]-1,5-dioxa-spiro[5.5]undecane-2,4-dione
CID 1846474
2,2-Dimethyl-5-{[2-(trifluoromethyl)anilino]methylene}-1,3-dioxane-4,6-dione
CID 3504680
Diethyl [(biphenyl-4-ylamino)methylidene]propanedioate
CID 16102646
5-{[(5-Fluoro-2-methylphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 3792239
2,2-Dimethyl-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-1,3-dioxane-4,6-dione
CID 757247
N-(4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}phenyl)acetamide
CID 757256
5-((Mesitylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 757261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide (CID 168540558) is 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide is CC1(C)OC(=O)C(=CNc2ccc(CC(N)=O)cc2)C(=O)O1.
What is the InChIKey of 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide?
The InChIKey is APEBEVMFZQUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-15(2)21-13(19)11(14(20)22-15)8-17-10-5-3-9(4-6-10)7-12(16)18/h3-6,8,17H,7H2,1-2H3,(H2,16,18).
What are the key properties of 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide?
2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide has a molecular weight of 304.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide is sourced from PubChem (CID 168540558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).