1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone

C11H13NO3 — CID 151811277

IUPAC1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(N)c1C(C)=O
InChIInChI=1S/C11H13NO3/c1-6(13)8-4-5-9(15-3)10(7(2)14)11(8)12/h4-5H,12H2,1-3H3
InChIKeySAQTYQHVJAIQQT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.68
Rot. Bonds3

About 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone

1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone (PubChem CID 151811277) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
PubChem CID151811277
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(N)c1C(C)=O
InChIInChI=1S/C11H13NO3/c1-6(13)8-4-5-9(15-3)10(7(2)14)11(8)12/h4-5H,12H2,1-3H3
InChIKeySAQTYQHVJAIQQT-UHFFFAOYSA-N
XLogP1.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
CID 163871431
methyl 3-amino-2-fluoro-4-methoxybenzoate
CID 84668671
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117318371
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone (CID 151811277) is 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone is COc1ccc(C(C)=O)c(N)c1C(C)=O.
What is the InChIKey of 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone?
The InChIKey is SAQTYQHVJAIQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6(13)8-4-5-9(15-3)10(7(2)14)11(8)12/h4-5H,12H2,1-3H3.
What are the key properties of 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone?
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone has a molecular weight of 207.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone is sourced from PubChem (CID 151811277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).