[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate

C19H23NO4 — CID 2689588

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccco1
InChIInChI=1S/C19H23NO4/c1-12(2)14-7-5-8-15(13(3)4)18(14)20-17(21)11-24-19(22)16-9-6-10-23-16/h5-10,12-13H,11H2,1-4H3,(H,20,21)
InChIKeyYKEWCZUSPBXZFK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.32
Rot. Bonds6

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2689588) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2689588
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccco1
InChIInChI=1S/C19H23NO4/c1-12(2)14-7-5-8-15(13(3)4)18(14)20-17(21)11-24-19(22)16-9-6-10-23-16/h5-10,12-13H,11H2,1-4H3,(H,20,21)
InChIKeyYKEWCZUSPBXZFK-UHFFFAOYSA-N
XLogP4.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193712
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] propanoate
CID 7851212
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate
CID 17439018
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 2563965
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzoate
CID 2105140
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 40823928
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567799
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7624847
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate (CID 2689588) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate is CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccco1.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is YKEWCZUSPBXZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12(2)14-7-5-8-15(13(3)4)18(14)20-17(21)11-24-19(22)16-9-6-10-23-16/h5-10,12-13H,11H2,1-4H3,(H,20,21).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2689588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).