methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate

C18H22N2O6 — CID 7727985

IUPACmethyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C18H22N2O6/c1-25-18(24)13-6-8-14(9-7-13)19-15(21)12-26-17(23)11-20-10-4-2-3-5-16(20)22/h6-9H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyFWDGRJWJTKQXNA-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.36
Rot. Bonds6

About methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate

methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7727985) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7727985
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Namemethyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C18H22N2O6/c1-25-18(24)13-6-8-14(9-7-13)19-15(21)12-26-17(23)11-20-10-4-2-3-5-16(20)22/h6-9H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyFWDGRJWJTKQXNA-UHFFFAOYSA-N
XLogP1.36
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728004
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727908
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42980856
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727542
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728030
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727549
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727491

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate (CID 7727985) is methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1.
What is the InChIKey of methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is FWDGRJWJTKQXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-25-18(24)13-6-8-14(9-7-13)19-15(21)12-26-17(23)11-20-10-4-2-3-5-16(20)22/h6-9H,2-5,10-12H2,1H3,(H,19,21).
What are the key properties of methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 362.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7727985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).