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

C16H17ClN2O6 — CID 168537430

IUPACN-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)c(NC=C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C16H17ClN2O6/c1-16(2)24-14(21)10(15(22)25-16)7-18-12-6-9(4-5-11(12)17)19-13(20)8-23-3/h4-7,18H,8H2,1-3H3,(H,19,20)
InChIKeyYNGUWUBXGNIABA-UHFFFAOYSA-N
MW368.77 g/mol
LogP2.06
Rot. Bonds5

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

N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide (PubChem CID 168537430) has the molecular formula C16H17ClN2O6 and a molecular weight of 368.77 g/mol. Its IUPAC name is N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide
PubChem CID168537430
Molecular FormulaC16H17ClN2O6
Molecular Weight368.77 g/mol
Exact Mass368.08
IUPAC NameN-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)c(NC=C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C16H17ClN2O6/c1-16(2)24-14(21)10(15(22)25-16)7-18-12-6-9(4-5-11(12)17)19-13(20)8-23-3/h4-7,18H,8H2,1-3H3,(H,19,20)
InChIKeyYNGUWUBXGNIABA-UHFFFAOYSA-N
XLogP2.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

N-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxyphenyl]-2-methoxyacetamide
CID 168537121
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4-fluorophenyl]propanamide
CID 168538836
N-[2-chloro-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]butanamide
CID 168538298
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
[2,4-dichloro-5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]boronic acid
CID 168538894
N-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxyphenyl]acetamide
CID 168537431
5-[(3-chloro-2-ethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537516
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
CID 17189887
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-methoxyethyl)benzamide
CID 17150424
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
2,2-dimethyl-5-[(3,4,5-trichloroanilino)methylidene]-1,3-dioxane-4,6-dione
CID 168536672
N-(2-chlorophenyl)-4-[(2-methoxyacetyl)amino]benzamide
CID 1228428

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide (CID 168537430) is N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(Cl)c(NC=C2C(=O)OC(C)(C)OC2=O)c1.
What is the InChIKey of N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide?
The InChIKey is YNGUWUBXGNIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O6/c1-16(2)24-14(21)10(15(22)25-16)7-18-12-6-9(4-5-11(12)17)19-13(20)8-23-3/h4-7,18H,8H2,1-3H3,(H,19,20).
What are the key properties of N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide?
N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide has a molecular weight of 368.77 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 168537430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).