[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

C18H24N2O6 — CID 7728004

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1OC
InChIInChI=1S/C18H24N2O6/c1-24-14-8-7-13(10-15(14)25-2)19-16(21)12-26-18(23)11-20-9-5-3-4-6-17(20)22/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,19,21)
InChIKeyOKNMLMCFCCJWGW-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.59
Rot. Bonds7

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 7728004) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID7728004
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1OC
InChIInChI=1S/C18H24N2O6/c1-24-14-8-7-13(10-15(14)25-2)19-16(21)12-26-18(23)11-20-9-5-3-4-6-17(20)22/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,19,21)
InChIKeyOKNMLMCFCCJWGW-UHFFFAOYSA-N
XLogP1.59
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42980856
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728030
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate
CID 8573078
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727908
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727491
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554664
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (CID 7728004) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is COc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is OKNMLMCFCCJWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-24-14-8-7-13(10-15(14)25-2)19-16(21)12-26-18(23)11-20-9-5-3-4-6-17(20)22/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,19,21).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 364.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 7728004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).