[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate

C15H19NO5 — CID 91753552

IUPAC[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)C(C)N(C)C(C)=O)ccc1OC(C)=O
InChIInChI=1S/C15H19NO5/c1-9(16(4)10(2)17)15(19)12-6-7-13(21-11(3)18)14(8-12)20-5/h6-9H,1-5H3
InChIKeyIDTQPTVNIJKOCS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.67
Rot. Bonds5

About [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate

[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate (PubChem CID 91753552) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate
PubChem CID91753552
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)C(C)N(C)C(C)=O)ccc1OC(C)=O
InChIInChI=1S/C15H19NO5/c1-9(16(4)10(2)17)15(19)12-6-7-13(21-11(3)18)14(8-12)20-5/h6-9H,1-5H3
InChIKeyIDTQPTVNIJKOCS-UHFFFAOYSA-N
XLogP1.67
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.67
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

[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
CID 54123308
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
2-bromo-1-(3,4-dimethoxyphenyl)-2-methoxyethanone
CID 19388505
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347
2-bromo-1-(3,4-dimethoxyphenyl)-2-fluoroethanone
CID 57154420
(2,5-dioxopyrrolidin-1-yl) 4-acetyloxy-3-methoxybenzoate
CID 142704886
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709

Frequently Asked Questions

What is the IUPAC name of [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate (CID 91753552) is [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate is COc1cc(C(=O)C(C)N(C)C(C)=O)ccc1OC(C)=O.
What is the InChIKey of [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate?
The InChIKey is IDTQPTVNIJKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(16(4)10(2)17)15(19)12-6-7-13(21-11(3)18)14(8-12)20-5/h6-9H,1-5H3.
What are the key properties of [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate?
[4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate has a molecular weight of 293.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[acetyl(methyl)amino]propanoyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 91753552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).