2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate

C17H23NO6 — CID 101318888

IUPAC2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate
SMILESCOc1cc(N(CCOC(C)=O)C(C)=O)c(C)c(OC(C)=O)c1C
InChIInChI=1S/C17H23NO6/c1-10-15(18(12(3)19)7-8-23-13(4)20)9-16(22-6)11(2)17(10)24-14(5)21/h9H,7-8H2,1-6H3
InChIKeyKZQSYDCXRAAFPA-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.15
Rot. Bonds6

About 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate

2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate (PubChem CID 101318888) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate.

Molecular Properties

Compound Name2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate
PubChem CID101318888
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate
SMILESCOc1cc(N(CCOC(C)=O)C(C)=O)c(C)c(OC(C)=O)c1C
InChIInChI=1S/C17H23NO6/c1-10-15(18(12(3)19)7-8-23-13(4)20)9-16(22-6)11(2)17(10)24-14(5)21/h9H,7-8H2,1-6H3
InChIKeyKZQSYDCXRAAFPA-UHFFFAOYSA-N
XLogP2.15
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate
CID 10662709
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
(2,3,4,5,6-pentamethylphenyl) acetate
CID 12655239
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
(6-methoxy-5-methyl-1-oxo-3H-2-benzofuran-4-yl) acetate
CID 86136248
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
2-(3-methoxy-4-methylphenyl)ethyl acetate
CID 58508848

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate?
The IUPAC name of 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate (CID 101318888) is 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate.
What is the SMILES notation for 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate?
The canonical SMILES for 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate is COc1cc(N(CCOC(C)=O)C(C)=O)c(C)c(OC(C)=O)c1C.
What is the InChIKey of 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate?
The InChIKey is KZQSYDCXRAAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-10-15(18(12(3)19)7-8-23-13(4)20)9-16(22-6)11(2)17(10)24-14(5)21/h9H,7-8H2,1-6H3.
What are the key properties of 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate?
2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate has a molecular weight of 337.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate is sourced from PubChem (CID 101318888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).