2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one

C11H14N2O3 — CID 89028387

IUPAC2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one
SMILESCOCC(=C=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C11H14N2O3/c1-15-7-9(6-14)13-8-3-4-10(12)11(5-8)16-2/h3-5,13H,7,12H2,1-2H3
InChIKeyFBLDOIIIVWOLNL-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.05
Rot. Bonds5

About 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one

2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one (PubChem CID 89028387) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one.

Molecular Properties

Compound Name2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one
PubChem CID89028387
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one
SMILESCOCC(=C=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C11H14N2O3/c1-15-7-9(6-14)13-8-3-4-10(12)11(5-8)16-2/h3-5,13H,7,12H2,1-2H3
InChIKeyFBLDOIIIVWOLNL-UHFFFAOYSA-N
XLogP1.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
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N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
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benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 61239289
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
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N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one?
The IUPAC name of 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one (CID 89028387) is 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one.
What is the SMILES notation for 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one?
The canonical SMILES for 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one is COCC(=C=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one?
The InChIKey is FBLDOIIIVWOLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-7-9(6-14)13-8-3-4-10(12)11(5-8)16-2/h3-5,13H,7,12H2,1-2H3.
What are the key properties of 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one?
2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one has a molecular weight of 222.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one is sourced from PubChem (CID 89028387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).