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

C18H22N2O5 — CID 168538433

IUPAC3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C18H22N2O5/c1-18(2)24-16(22)13(17(23)25-18)11-19-14-8-6-5-7-12(14)9-10-15(21)20(3)4/h5-8,11,19H,9-10H2,1-4H3
InChIKeyPAGFRAZEWFKXKK-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.84
Rot. Bonds5

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

3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide (PubChem CID 168538433) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide
PubChem CID168538433
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C18H22N2O5/c1-18(2)24-16(22)13(17(23)25-18)11-19-14-8-6-5-7-12(14)9-10-15(21)20(3)4/h5-8,11,19H,9-10H2,1-4H3
InChIKeyPAGFRAZEWFKXKK-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
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'}

Analyze 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide (CID 168538433) is 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is PAGFRAZEWFKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2)24-16(22)13(17(23)25-18)11-19-14-8-6-5-7-12(14)9-10-15(21)20(3)4/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide?
3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 346.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 168538433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).