[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate

C14H19NO4 — CID 46512060

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H19NO4/c1-4-10(2)14(17)19-9-13(16)15-11-5-7-12(18-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,16)
InChIKeyMCXSPFNAPPYQGQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.22
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate

[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate (PubChem CID 46512060) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
PubChem CID46512060
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H19NO4/c1-4-10(2)14(17)19-9-13(16)15-11-5-7-12(18-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,16)
InChIKeyMCXSPFNAPPYQGQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 51415222
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133361
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate
CID 3943629
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate (CID 46512060) is [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate is CCC(C)C(=O)OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate?
The InChIKey is MCXSPFNAPPYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-10(2)14(17)19-9-13(16)15-11-5-7-12(18-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,16).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate has a molecular weight of 265.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate is sourced from PubChem (CID 46512060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).