[2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate

C18H19NO5 — CID 2370498

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-19(13-8-5-4-6-9-13)16(20)12-24-18(21)17-14(22-2)10-7-11-15(17)23-3/h4-11H,12H2,1-3H3
InChIKeyDCLLVQAFPDPRRG-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.52
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2370498) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2370498
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-19(13-8-5-4-6-9-13)16(20)12-24-18(21)17-14(22-2)10-7-11-15(17)23-3/h4-11H,12H2,1-3H3
InChIKeyDCLLVQAFPDPRRG-UHFFFAOYSA-N
XLogP2.52
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2370498) is [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)N(C)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is DCLLVQAFPDPRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-19(13-8-5-4-6-9-13)16(20)12-24-18(21)17-14(22-2)10-7-11-15(17)23-3/h4-11H,12H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2370498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).