[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

C20H28N2O4 — CID 7727908

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)CN1CCCCCC1=O
InChIInChI=1S/C20H28N2O4/c1-3-15-9-8-10-16(4-2)20(15)21-17(23)14-26-19(25)13-22-12-7-5-6-11-18(22)24/h8-10H,3-7,11-14H2,1-2H3,(H,21,23)
InChIKeyXUPBWBFHPKOCMI-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.70
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 7727908) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID7727908
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)CN1CCCCCC1=O
InChIInChI=1S/C20H28N2O4/c1-3-15-9-8-10-16(4-2)20(15)21-17(23)14-26-19(25)13-22-12-7-5-6-11-18(22)24/h8-10H,3-7,11-14H2,1-2H3,(H,21,23)
InChIKeyXUPBWBFHPKOCMI-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727542
[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
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728004
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727491
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728030
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727308
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727543
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
CID 8560767
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42242519

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (CID 7727908) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)CN1CCCCCC1=O.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is XUPBWBFHPKOCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-15-9-8-10-16(4-2)20(15)21-17(23)14-26-19(25)13-22-12-7-5-6-11-18(22)24/h8-10H,3-7,11-14H2,1-2H3,(H,21,23).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 360.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 7727908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).