[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate

C14H19NO5 — CID 23996290

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCOc1cc(NC(=O)COC(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C14H19NO5/c1-9(2)14(17)20-8-13(16)15-10-5-11(18-3)7-12(6-10)19-4/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyNFUIDHBRSGUTQL-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.84
Rot. Bonds6

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate (PubChem CID 23996290) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
PubChem CID23996290
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCOc1cc(NC(=O)COC(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C14H19NO5/c1-9(2)14(17)20-8-13(16)15-10-5-11(18-3)7-12(6-10)19-4/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyNFUIDHBRSGUTQL-UHFFFAOYSA-N
XLogP1.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-[[2-(2-methylpropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7782389
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2613656
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306175
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate (CID 23996290) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate is COc1cc(NC(=O)COC(=O)C(C)C)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is NFUIDHBRSGUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)14(17)20-8-13(16)15-10-5-11(18-3)7-12(6-10)19-4/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 281.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 23996290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).