[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

C18H24N2O4 — CID 7727959

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCCc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-14-7-9-15(10-8-14)19-16(21)13-24-18(23)12-20-11-5-3-4-6-17(20)22/h7-10H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyHMWJBGFGMBEAHG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.13
Rot. Bonds6

About [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 7727959) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID7727959
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESCCc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-14-7-9-15(10-8-14)19-16(21)13-24-18(23)12-20-11-5-3-4-6-17(20)22/h7-10H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyHMWJBGFGMBEAHG-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate with MolForge

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Related Compounds

methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727908
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728004
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727542
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42980856
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727491
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
CID 8925181
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728030
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 8603134
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727308

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (CID 7727959) is [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is CCc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is HMWJBGFGMBEAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-14-7-9-15(10-8-14)19-16(21)13-24-18(23)12-20-11-5-3-4-6-17(20)22/h7-10H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 332.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 7727959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).