[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

C20H19NO4 — CID 3993378

IUPAC[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OC(C)C(=O)N(C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-16-11-7-8-12-17(16)25-18(13)20(23)24-14(2)19(22)21(3)15-9-5-4-6-10-15/h4-12,14H,1-3H3
InChIKeyNDDNIPAWPULSQI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.95
Rot. Bonds4

About [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 3993378) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID3993378
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OC(C)C(=O)N(C)c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-16-11-7-8-12-17(16)25-18(13)20(23)24-14(2)19(22)21(3)15-9-5-4-6-10-15/h4-12,14H,1-3H3
InChIKeyNDDNIPAWPULSQI-UHFFFAOYSA-N
XLogP3.95
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate (CID 3993378) is [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OC(C)C(=O)N(C)c2ccccc2)oc2ccccc12.
What is the InChIKey of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is NDDNIPAWPULSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-16-11-7-8-12-17(16)25-18(13)20(23)24-14(2)19(22)21(3)15-9-5-4-6-10-15/h4-12,14H,1-3H3.
What are the key properties of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate?
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 3993378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).