1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one

C18H24N2O4 — CID 134061611

IUPAC1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(=O)N2CCCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-3-17(22)15-5-7-16(8-6-15)24-13-18(23)20-10-4-9-19(11-12-20)14(2)21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyOIGCPUAHYCOYKQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.74
Rot. Bonds5

About 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one

1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one (PubChem CID 134061611) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
PubChem CID134061611
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(=O)N2CCCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-3-17(22)15-5-7-16(8-6-15)24-13-18(23)20-10-4-9-19(11-12-20)14(2)21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyOIGCPUAHYCOYKQ-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one 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

1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
1-[4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 46422165
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7494455
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
CID 38905055
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 2715491
1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
CID 78767794
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 55564625
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one (CID 134061611) is 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(=O)N2CCCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
The InChIKey is OIGCPUAHYCOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-17(22)15-5-7-16(8-6-15)24-13-18(23)20-10-4-9-19(11-12-20)14(2)21/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one?
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one has a molecular weight of 332.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one is sourced from PubChem (CID 134061611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).