N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide

C16H25N3O3 — CID 155810118

IUPACN-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide
SMILESCCN1CCN(CC(=O)NC2CCCCC2)C(=O)/C=C\C1=O
InChIInChI=1S/C16H25N3O3/c1-2-18-10-11-19(16(22)9-8-15(18)21)12-14(20)17-13-6-4-3-5-7-13/h8-9,13H,2-7,10-12H2,1H3,(H,17,20)/b9-8-
InChIKeyFEESRGIIKQYZOZ-HJWRWDBZSA-N
MW307.39 g/mol
LogP0.68
Rot. Bonds4

About N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide

N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide (PubChem CID 155810118) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide
PubChem CID155810118
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide
SMILESCCN1CCN(CC(=O)NC2CCCCC2)C(=O)/C=C\C1=O
InChIInChI=1S/C16H25N3O3/c1-2-18-10-11-19(16(22)9-8-15(18)21)12-14(20)17-13-6-4-3-5-7-13/h8-9,13H,2-7,10-12H2,1H3,(H,17,20)/b9-8-
InChIKeyFEESRGIIKQYZOZ-HJWRWDBZSA-N
XLogP0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide (CID 155810118) is N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide is CCN1CCN(CC(=O)NC2CCCCC2)C(=O)/C=C\C1=O.
What is the InChIKey of N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide?
The InChIKey is FEESRGIIKQYZOZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-18-10-11-19(16(22)9-8-15(18)21)12-14(20)17-13-6-4-3-5-7-13/h8-9,13H,2-7,10-12H2,1H3,(H,17,20)/b9-8-.
What are the key properties of N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide?
N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(6Z)-4-ethyl-5,8-dioxo-2,3-dihydro-1,4-diazocin-1-yl]acetamide is sourced from PubChem (CID 155810118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).