2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide

C24H30N2O6 — CID 142171615

IUPAC2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide
SMILESO=C1C=C(NCC(=O)C2CCC(=O)CC2)C(=O)C(C(=O)CNC(=O)CC2CCCCC2)=C1
InChIInChI=1S/C24H30N2O6/c27-17-8-6-16(7-9-17)21(29)13-25-20-12-18(28)11-19(24(20)32)22(30)14-26-23(31)10-15-4-2-1-3-5-15/h11-12,15-16,25H,1-10,13-14H2,(H,26,31)
InChIKeyGKUKWLPXXTYUSV-UHFFFAOYSA-N
MW442.51 g/mol
LogP1.52
Rot. Bonds9

About 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide

2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide (PubChem CID 142171615) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide
PubChem CID142171615
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide
SMILESO=C1C=C(NCC(=O)C2CCC(=O)CC2)C(=O)C(C(=O)CNC(=O)CC2CCCCC2)=C1
InChIInChI=1S/C24H30N2O6/c27-17-8-6-16(7-9-17)21(29)13-25-20-12-18(28)11-19(24(20)32)22(30)14-26-23(31)10-15-4-2-1-3-5-15/h11-12,15-16,25H,1-10,13-14H2,(H,26,31)
InChIKeyGKUKWLPXXTYUSV-UHFFFAOYSA-N
XLogP1.52
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide 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

(4Z)-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]-3-methylidenehepta-4,6-dienamide
CID 142171643

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide (CID 142171615) is 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide is O=C1C=C(NCC(=O)C2CCC(=O)CC2)C(=O)C(C(=O)CNC(=O)CC2CCCCC2)=C1.
What is the InChIKey of 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide?
The InChIKey is GKUKWLPXXTYUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c27-17-8-6-16(7-9-17)21(29)13-25-20-12-18(28)11-19(24(20)32)22(30)14-26-23(31)10-15-4-2-1-3-5-15/h11-12,15-16,25H,1-10,13-14H2,(H,26,31).
What are the key properties of 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide?
2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide has a molecular weight of 442.51 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 142171615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).