methyl 2-(N-acetyl-4-acetyloxyanilino)acetate

C13H15NO5 — CID 22630317

IUPACmethyl 2-(N-acetyl-4-acetyloxyanilino)acetate
SMILESCOC(=O)CN(C(C)=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C13H15NO5/c1-9(15)14(8-13(17)18-3)11-4-6-12(7-5-11)19-10(2)16/h4-7H,8H2,1-3H3
InChIKeyRVJAHKUJWRXIOS-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-(N-acetyl-4-acetyloxyanilino)acetate

methyl 2-(N-acetyl-4-acetyloxyanilino)acetate (PubChem CID 22630317) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 2-(N-acetyl-4-acetyloxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-acetyl-4-acetyloxyanilino)acetate
PubChem CID22630317
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-(N-acetyl-4-acetyloxyanilino)acetate
SMILESCOC(=O)CN(C(C)=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C13H15NO5/c1-9(15)14(8-13(17)18-3)11-4-6-12(7-5-11)19-10(2)16/h4-7H,8H2,1-3H3
InChIKeyRVJAHKUJWRXIOS-UHFFFAOYSA-N
XLogP1.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
methyl 2-(N-acetyl-4-piperazin-1-ylanilino)acetate
CID 19602904
[4-(dimethylamino)phenyl] acetate
CID 586356
methyl 2-(N-acetyl-3-aminoanilino)acetate
CID 68837946
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
CID 91153786
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
ethyl 2-(N-acetyl-4-aminoanilino)acetate
CID 18005693
4-(N-[2-(N-acetyl-4-methoxyanilino)acetyl]-4-methoxyanilino)butanoic acid
CID 3054589
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
methyl 2-(N-amino-4-methoxyanilino)acetate
CID 54130144
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-acetyl-4-acetyloxyanilino)acetate?
The IUPAC name of methyl 2-(N-acetyl-4-acetyloxyanilino)acetate (CID 22630317) is methyl 2-(N-acetyl-4-acetyloxyanilino)acetate.
What is the SMILES notation for methyl 2-(N-acetyl-4-acetyloxyanilino)acetate?
The canonical SMILES for methyl 2-(N-acetyl-4-acetyloxyanilino)acetate is COC(=O)CN(C(C)=O)c1ccc(OC(C)=O)cc1.
What is the InChIKey of methyl 2-(N-acetyl-4-acetyloxyanilino)acetate?
The InChIKey is RVJAHKUJWRXIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-9(15)14(8-13(17)18-3)11-4-6-12(7-5-11)19-10(2)16/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(N-acetyl-4-acetyloxyanilino)acetate?
methyl 2-(N-acetyl-4-acetyloxyanilino)acetate has a molecular weight of 265.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-acetyl-4-acetyloxyanilino)acetate is sourced from PubChem (CID 22630317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).