[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C16H17NO6 — CID 27625804

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCOc1cc(NC(=O)COC(=O)c2ccoc2C)cc(OC)c1
InChIInChI=1S/C16H17NO6/c1-10-14(4-5-22-10)16(19)23-9-15(18)17-11-6-12(20-2)8-13(7-11)21-3/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyUVAHJGXVBBEJPF-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.40
Rot. Bonds6

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

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 27625804) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID27625804
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCOc1cc(NC(=O)COC(=O)c2ccoc2C)cc(OC)c1
InChIInChI=1S/C16H17NO6/c1-10-14(4-5-22-10)16(19)23-9-15(18)17-11-6-12(20-2)8-13(7-11)21-3/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyUVAHJGXVBBEJPF-UHFFFAOYSA-N
XLogP2.40
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662936
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylfuran-3-carboxylate
CID 3900377
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966209
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662678
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525429
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080550
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 27625804) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is COc1cc(NC(=O)COC(=O)c2ccoc2C)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is UVAHJGXVBBEJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-10-14(4-5-22-10)16(19)23-9-15(18)17-11-6-12(20-2)8-13(7-11)21-3/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 27625804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).