ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate

C15H20N2O3 — CID 22008730

IUPACethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2)CCC1=O
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)12-17-11-10-16(9-8-14(17)18)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyUIWYEIQHWABJEE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate

ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate (PubChem CID 22008730) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
PubChem CID22008730
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2)CCC1=O
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)12-17-11-10-16(9-8-14(17)18)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyUIWYEIQHWABJEE-UHFFFAOYSA-N
XLogP1.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 2-(4-benzylsulfonyl-7-oxo-1,4-diazepan-1-yl)acetate
CID 22008726
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
CID 10762341
ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate
CID 110708479
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670
ethyl 2-[3-oxo-1-(4-pyrrolidin-1-ylbenzoyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetate
CID 91381064
ethyl 2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]acetate
CID 51595581
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 47011606
ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17469283
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate?
The IUPAC name of ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate (CID 22008730) is ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate is CCOC(=O)CN1CCN(c2ccccc2)CCC1=O.
What is the InChIKey of ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate?
The InChIKey is UIWYEIQHWABJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)12-17-11-10-16(9-8-14(17)18)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate?
ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate has a molecular weight of 276.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate is sourced from PubChem (CID 22008730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).