N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide

C17H24N2O4 — CID 4787569

IUPACN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-22-14-9-8-13(10-15(14)23-2)19-16(20)11-18-17(21)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKJKHCFIZPAYVOH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4787569) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4787569
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-22-14-9-8-13(10-15(14)23-2)19-16(20)11-18-17(21)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKJKHCFIZPAYVOH-UHFFFAOYSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]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-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide (CID 4787569) is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide is COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is KJKHCFIZPAYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-9-8-13(10-15(14)23-2)19-16(20)11-18-17(21)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4787569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).