(2-acetamido-4,5-dimethoxyphenyl) acetate

C12H15NO5 — CID 102408596

IUPAC(2-acetamido-4,5-dimethoxyphenyl) acetate
SMILESCOc1cc(NC(C)=O)c(OC(C)=O)cc1OC
InChIInChI=1S/C12H15NO5/c1-7(14)13-9-5-11(16-3)12(17-4)6-10(9)18-8(2)15/h5-6H,1-4H3,(H,13,14)
InChIKeyPBNXFQDYHHDYFN-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.59
Rot. Bonds4

About (2-acetamido-4,5-dimethoxyphenyl) acetate

(2-acetamido-4,5-dimethoxyphenyl) acetate (PubChem CID 102408596) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2-acetamido-4,5-dimethoxyphenyl) acetate.

Molecular Properties

Compound Name(2-acetamido-4,5-dimethoxyphenyl) acetate
PubChem CID102408596
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2-acetamido-4,5-dimethoxyphenyl) acetate
SMILESCOc1cc(NC(C)=O)c(OC(C)=O)cc1OC
InChIInChI=1S/C12H15NO5/c1-7(14)13-9-5-11(16-3)12(17-4)6-10(9)18-8(2)15/h5-6H,1-4H3,(H,13,14)
InChIKeyPBNXFQDYHHDYFN-UHFFFAOYSA-N
XLogP1.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-acetamido-4,5-dimethoxyphenyl) acetate 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-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
(2-iodo-4,5-dimethoxyphenyl) acetate
CID 171366364
N-(2,4,5-trimethoxyphenyl)carbamoyl bromide
CID 115193326
(4-chloro-2,5-dimethoxyphenyl) acetate
CID 165356212
(2-acetamido-5-bromo-4-tert-butylphenyl) acetate
CID 156745612
4-acetamido-2,5-dimethoxybenzenesulfinic acid
CID 102438502
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
N-(5-methoxy-2-methyl-4-pyridinyl)acetamide
CID 59938106
N-(3,4-difluoro-5-methoxy-2-methylphenyl)acetamide;ethane
CID 178095697
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-4,5-dimethoxyphenyl) acetate?
The IUPAC name of (2-acetamido-4,5-dimethoxyphenyl) acetate (CID 102408596) is (2-acetamido-4,5-dimethoxyphenyl) acetate.
What is the SMILES notation for (2-acetamido-4,5-dimethoxyphenyl) acetate?
The canonical SMILES for (2-acetamido-4,5-dimethoxyphenyl) acetate is COc1cc(NC(C)=O)c(OC(C)=O)cc1OC.
What is the InChIKey of (2-acetamido-4,5-dimethoxyphenyl) acetate?
The InChIKey is PBNXFQDYHHDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7(14)13-9-5-11(16-3)12(17-4)6-10(9)18-8(2)15/h5-6H,1-4H3,(H,13,14).
What are the key properties of (2-acetamido-4,5-dimethoxyphenyl) acetate?
(2-acetamido-4,5-dimethoxyphenyl) acetate has a molecular weight of 253.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4,5-dimethoxyphenyl) acetate is sourced from PubChem (CID 102408596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).