[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate

C15H21NO4 — CID 175297519

IUPAC[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate
SMILESCOc1cccc(CC(C)=O)c1NOC(=O)C(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(17)9-11-7-6-8-12(19-5)13(11)16-20-14(18)15(2,3)4/h6-8,16H,9H2,1-5H3
InChIKeyJESRVTATRGSYCP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds5

About [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate

[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate (PubChem CID 175297519) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate
PubChem CID175297519
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate
SMILESCOc1cccc(CC(C)=O)c1NOC(=O)C(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(17)9-11-7-6-8-12(19-5)13(11)16-20-14(18)15(2,3)4/h6-8,16H,9H2,1-5H3
InChIKeyJESRVTATRGSYCP-UHFFFAOYSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
[2-(2-oxopropyl)phenyl] 2,2-dimethylpropanoate
CID 13066161
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
2-(2-methoxy-6-methylphenyl)propan-2-yl acetate
CID 142944193
1-(4-tert-butyl-3-methoxyphenyl)propan-2-one
CID 58452209
1-[2-(tert-butylamino)-3-chlorophenyl]propan-2-one
CID 174836838

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate?
The IUPAC name of [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate (CID 175297519) is [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate?
The canonical SMILES for [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate is COc1cccc(CC(C)=O)c1NOC(=O)C(C)(C)C.
What is the InChIKey of [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate?
The InChIKey is JESRVTATRGSYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(17)9-11-7-6-8-12(19-5)13(11)16-20-14(18)15(2,3)4/h6-8,16H,9H2,1-5H3.
What are the key properties of [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate?
[2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(2-oxopropyl)anilino] 2,2-dimethylpropanoate is sourced from PubChem (CID 175297519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).