N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide

C22H36N2O4 — CID 58425951

IUPACN-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide
SMILESO=C(CCCCC(=O)NCC(=O)C1CCCCC1)CNC(=O)C1CCCCC1
InChIInChI=1S/C22H36N2O4/c25-19(15-24-22(28)18-11-5-2-6-12-18)13-7-8-14-21(27)23-16-20(26)17-9-3-1-4-10-17/h17-18H,1-16H2,(H,23,27)(H,24,28)
InChIKeyKEFZEVJKJALQAH-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.08
Rot. Bonds11

About N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide

N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide (PubChem CID 58425951) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide
PubChem CID58425951
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC NameN-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide
SMILESO=C(CCCCC(=O)NCC(=O)C1CCCCC1)CNC(=O)C1CCCCC1
InChIInChI=1S/C22H36N2O4/c25-19(15-24-22(28)18-11-5-2-6-12-18)13-7-8-14-21(27)23-16-20(26)17-9-3-1-4-10-17/h17-18H,1-16H2,(H,23,27)(H,24,28)
InChIKeyKEFZEVJKJALQAH-UHFFFAOYSA-N
XLogP3.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide 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-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide?
The IUPAC name of N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide (CID 58425951) is N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide?
The canonical SMILES for N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide is O=C(CCCCC(=O)NCC(=O)C1CCCCC1)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide?
The InChIKey is KEFZEVJKJALQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c25-19(15-24-22(28)18-11-5-2-6-12-18)13-7-8-14-21(27)23-16-20(26)17-9-3-1-4-10-17/h17-18H,1-16H2,(H,23,27)(H,24,28).
What are the key properties of N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide?
N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide is sourced from PubChem (CID 58425951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).