[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate

C18H19NO6 — CID 7586721

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H19NO6/c1-22-13-6-4-5-12(9-13)19-17(20)11-25-18(21)15-10-14(23-2)7-8-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyKJDZXTQBUKLSFK-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.51
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate

[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate (PubChem CID 7586721) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
PubChem CID7586721
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H19NO6/c1-22-13-6-4-5-12(9-13)19-17(20)11-25-18(21)15-10-14(23-2)7-8-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyKJDZXTQBUKLSFK-UHFFFAOYSA-N
XLogP2.51
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561072
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
CID 7586714
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-(3-methoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2488752
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586962
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561076
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate (CID 7586721) is [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate is COc1cccc(NC(=O)COC(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The InChIKey is KJDZXTQBUKLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-13-6-4-5-12(9-13)19-17(20)11-25-18(21)15-10-14(23-2)7-8-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate?
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate has a molecular weight of 345.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7586721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).