2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide

C14H20N2O4 — CID 108792637

IUPAC2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)Cc1ccc(NC(C)=O)cc1)OC
InChIInChI=1S/C14H20N2O4/c1-10(17)16-12-6-4-11(5-7-12)8-13(18)15-9-14(19-2)20-3/h4-7,14H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKZQLVBXKOAKMFZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide

2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 108792637) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
PubChem CID108792637
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)Cc1ccc(NC(C)=O)cc1)OC
InChIInChI=1S/C14H20N2O4/c1-10(17)16-12-6-4-11(5-7-12)8-13(18)15-9-14(19-2)20-3/h4-7,14H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKZQLVBXKOAKMFZ-UHFFFAOYSA-N
XLogP0.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2,2-dimethoxyethyl)benzamide
CID 110463963
2-(4-acetamidophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 71848986
2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
CID 96542842
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451423
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide (CID 108792637) is 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide is COC(CNC(=O)Cc1ccc(NC(C)=O)cc1)OC.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is KZQLVBXKOAKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(17)16-12-6-4-11(5-7-12)8-13(18)15-9-14(19-2)20-3/h4-7,14H,8-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide?
2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 108792637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).