N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide

C15H15NO5 — CID 1471216

IUPACN-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C15H15NO5/c1-9-6-4-5-7-10(9)12(17)16-8-11-13(18)20-15(2,3)21-14(11)19/h4-8H,1-3H3,(H,16,17)
InChIKeyVWAHHRFMNOZNFD-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.44
Rot. Bonds2

About N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide

N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide (PubChem CID 1471216) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide
PubChem CID1471216
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C15H15NO5/c1-9-6-4-5-7-10(9)12(17)16-8-11-13(18)20-15(2,3)21-14(11)19/h4-8H,1-3H3,(H,16,17)
InChIKeyVWAHHRFMNOZNFD-UHFFFAOYSA-N
XLogP1.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide?
The IUPAC name of N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide (CID 1471216) is N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide?
The InChIKey is VWAHHRFMNOZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-6-4-5-7-10(9)12(17)16-8-11-13(18)20-15(2,3)21-14(11)19/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide?
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide has a molecular weight of 289.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide is sourced from PubChem (CID 1471216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).