(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate

C17H17NO5 — CID 2409406

IUPAC(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C17H17NO5/c1-21-13-8-9-14(15(10-13)22-2)17(20)23-11-16(19)18-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyGQVRHIVPAFGHMD-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.50
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate

(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate (PubChem CID 2409406) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
PubChem CID2409406
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C17H17NO5/c1-21-13-8-9-14(15(10-13)22-2)17(20)23-11-16(19)18-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyGQVRHIVPAFGHMD-UHFFFAOYSA-N
XLogP2.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504998
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
CID 2505093
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504725
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
dimethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2505044
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 23409029
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(2,5-difluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2503995

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate (CID 2409406) is (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate?
The InChIKey is GQVRHIVPAFGHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-8-9-14(15(10-13)22-2)17(20)23-11-16(19)18-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate?
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate has a molecular weight of 315.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate is sourced from PubChem (CID 2409406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).